5-(1H-pyrrol-1-yl)nicotinic acid

Base Information

• Chemical Name: 5-(1H-pyrrol-1-yl)nicotinic acid
• CAS No.: 690632-31-6
• Molecular Formula: C10H8N2O2
• Molecular Weight: 188.18
• Hs Code.: 2933990090
• European Community (EC) Number: 830-897-1
• DSSTox Substance ID: DTXSID20365986
• Wikidata: Q82151029
• Mol file: 690632-31-6.mol

Synonyms:5-(1H-pyrrol-1-yl)nicotinic acid;690632-31-6;5-(1H-pyrrol-1-yl)pyridine-3-carboxylic acid;5-pyrrol-1-ylpyridine-3-carboxylic acid;AF-399/43232238;5-(1-Pyrrolyl)nicotinic acid;SCHEMBL1423044;DTXSID20365986;MBHJQDUXANKYCO-UHFFFAOYSA-N;MFCD04971938;STL227649;AKOS000267476;PS-5238;SB62198;FT-0751897;5-(1H-pyrrol-1-yl)nicotinic acid, AldrichCPR;EN300-237787;PHENYLHYDRAZINOCARBODITHIOICACID,AMMONIUMSALT;F1926-0019;7UE

Chemical Property of 5-(1H-pyrrol-1-yl)nicotinic acid

Chemical Property:

• Vapor Pressure: 1.5E-07mmHg at 25°C
• Refractive Index: 1.631
• Boiling Point: 412.7 °C at 760 mmHg
• PKA: 3.00±0.10(Predicted)
• Flash Point: 203.4 °C
• PSA: 55.12000
• Density: 1.28 g/cm³
• LogP: 1.57050
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.058577502
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

98%min ^*data from raw suppliers

5-(1H-Pyrrol-1-yl)nicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: C1=CN(C=C1)C2=CN=CC(=C2)C(=O)O