2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile

C14H8ClN3O — CID 170993041

IUPAC2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3nc(Cl)ccc3O)cc12
InChIInChI=1S/C14H8ClN3O/c15-13-5-4-12(19)14(18-13)11-6-9-8(7-16)2-1-3-10(9)17-11/h1-6,17,19H
InChIKeyRFQGAWGHIGGPQH-UHFFFAOYSA-N
MW269.69 g/mol
LogP3.46
Rot. Bonds1

About 2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile

2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile (PubChem CID 170993041) has the molecular formula C14H8ClN3O and a molecular weight of 269.69 g/mol. Its IUPAC name is 2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile
PubChem CID170993041
Molecular FormulaC14H8ClN3O
Molecular Weight269.69 g/mol
Exact Mass269.04
IUPAC Name2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3nc(Cl)ccc3O)cc12
InChIInChI=1S/C14H8ClN3O/c15-13-5-4-12(19)14(18-13)11-6-9-8(7-16)2-1-3-10(9)17-11/h1-6,17,19H
InChIKeyRFQGAWGHIGGPQH-UHFFFAOYSA-N
XLogP3.46
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile?
The IUPAC name of 2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile (CID 170993041) is 2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile.
What is the SMILES notation for 2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile?
The canonical SMILES for 2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile is N#Cc1cccc2[nH]c(-c3nc(Cl)ccc3O)cc12.
What is the InChIKey of 2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile?
The InChIKey is RFQGAWGHIGGPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O/c15-13-5-4-12(19)14(18-13)11-6-9-8(7-16)2-1-3-10(9)17-11/h1-6,17,19H.
What are the key properties of 2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile?
2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile has a molecular weight of 269.69 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-hydroxy-2-pyridinyl)-1H-indole-4-carbonitrile is sourced from PubChem (CID 170993041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).