2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid

C11H7N3O2 — CID 114650657

IUPAC2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid
SMILESN#Cc1cccn1-c1ncccc1C(=O)O
InChIInChI=1S/C11H7N3O2/c12-7-8-3-2-6-14(8)10-9(11(15)16)4-1-5-13-10/h1-6H,(H,15,16)
InChIKeyNASLYPIXTOLQGP-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.44
Rot. Bonds2

About 2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid

2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid (PubChem CID 114650657) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid
PubChem CID114650657
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid
SMILESN#Cc1cccn1-c1ncccc1C(=O)O
InChIInChI=1S/C11H7N3O2/c12-7-8-3-2-6-14(8)10-9(11(15)16)4-1-5-13-10/h1-6H,(H,15,16)
InChIKeyNASLYPIXTOLQGP-UHFFFAOYSA-N
XLogP1.44
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid
CID 114650684
1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile
CID 114649836
1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653245
1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653386
4-(2-cyanopyrrol-1-yl)-6-methylpyridine-3-carboxylic acid
CID 114650578
5-chloro-2-(2-cyanopyrrol-1-yl)pyridine-4-carboxylic acid
CID 114916771
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid
CID 62351244
1-pyridin-2-ylpyrrole-2-carbonitrile
CID 114653179
2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride
CID 154814577
pyridine-2,3-dicarboxylic acid
CID 1066
4-(2-cyanopyrrol-1-yl)-2-nitrobenzoic acid
CID 114650597

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid (CID 114650657) is 2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid is N#Cc1cccn1-c1ncccc1C(=O)O.
What is the InChIKey of 2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is NASLYPIXTOLQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c12-7-8-3-2-6-14(8)10-9(11(15)16)4-1-5-13-10/h1-6H,(H,15,16).
What are the key properties of 2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid?
2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 213.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 114650657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).