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

C11H6ClN3O2 — CID 114650684

IUPAC6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid
SMILESN#Cc1cccn1-c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H6ClN3O2/c12-9-4-3-8(11(16)17)10(14-9)15-5-1-2-7(15)6-13/h1-5H,(H,16,17)
InChIKeyOHEAUHZPOXZBJZ-UHFFFAOYSA-N
MW247.64 g/mol
LogP2.10
Rot. Bonds2

About 6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid

6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid (PubChem CID 114650684) has the molecular formula C11H6ClN3O2 and a molecular weight of 247.64 g/mol. Its IUPAC name is 6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid
PubChem CID114650684
Molecular FormulaC11H6ClN3O2
Molecular Weight247.64 g/mol
Exact Mass247.01
IUPAC Name6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid
SMILESN#Cc1cccn1-c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H6ClN3O2/c12-9-4-3-8(11(16)17)10(14-9)15-5-1-2-7(15)6-13/h1-5H,(H,16,17)
InChIKeyOHEAUHZPOXZBJZ-UHFFFAOYSA-N
XLogP2.10
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid
CID 114650657
5-chloro-2-(2-cyanopyrrol-1-yl)pyridine-4-carboxylic acid
CID 114916771
4-(2-cyanopyrrol-1-yl)-6-methylpyridine-3-carboxylic acid
CID 114650578
4-(2-cyanopyrrol-1-yl)-2-nitrobenzoic acid
CID 114650597
1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653245
6-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380421
4-(2-cyanopyrrol-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 114650687
6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 55185257
6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 83219200
4-(2-cyanopyrrol-1-yl)cinnoline-3-carboxylic acid
CID 114650595
6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid
CID 102883883
6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 63376481

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid (CID 114650684) is 6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid is N#Cc1cccn1-c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is OHEAUHZPOXZBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2/c12-9-4-3-8(11(16)17)10(14-9)15-5-1-2-7(15)6-13/h1-5H,(H,16,17).
What are the key properties of 6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid?
6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 247.64 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 114650684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).