6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid

C17H11N3O2 — CID 59477747

IUPAC6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid
SMILESN#Cc1cn(-c2ccc(C(=O)O)cn2)cc1-c1ccccc1
InChIInChI=1S/C17H11N3O2/c18-8-14-10-20(11-15(14)12-4-2-1-3-5-12)16-7-6-13(9-19-16)17(21)22/h1-7,9-11H,(H,21,22)
InChIKeyZVNWPNOAPWSNLH-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.11
Rot. Bonds3

About 6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid

6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid (PubChem CID 59477747) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid
PubChem CID59477747
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid
SMILESN#Cc1cn(-c2ccc(C(=O)O)cn2)cc1-c1ccccc1
InChIInChI=1S/C17H11N3O2/c18-8-14-10-20(11-15(14)12-4-2-1-3-5-12)16-7-6-13(9-19-16)17(21)22/h1-7,9-11H,(H,21,22)
InChIKeyZVNWPNOAPWSNLH-UHFFFAOYSA-N
XLogP3.11
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

A 81988
CID 132387
Metanixin
CID 10466908
Nixylic acid
CID 71827
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209
2-[prop-2-enyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657947
2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657949
4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15658041
2-(Benzylamino)nicotinic acid
CID 214596
6-(Phenylamino)nicotinic acid
CID 2771812
2-(3-Cyano-4-phenylpyrrol-1-yl)pyridine-4-carboxylic acid
CID 25052195
2-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 15657951
2-[ethyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 10408684

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid (CID 59477747) is 6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid is N#Cc1cn(-c2ccc(C(=O)O)cn2)cc1-c1ccccc1.
What is the InChIKey of 6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is ZVNWPNOAPWSNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c18-8-14-10-20(11-15(14)12-4-2-1-3-5-12)16-7-6-13(9-19-16)17(21)22/h1-7,9-11H,(H,21,22).
What are the key properties of 6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid?
6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-4-phenylpyrrol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 59477747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).