1-(4-chloro-3-pyridinyl)indole-3-carbonitrile

C14H8ClN3 — CID 129239980

IUPAC1-(4-chloro-3-pyridinyl)indole-3-carbonitrile
SMILESN#Cc1cn(-c2cnccc2Cl)c2ccccc12
InChIInChI=1S/C14H8ClN3/c15-12-5-6-17-8-14(12)18-9-10(7-16)11-3-1-2-4-13(11)18/h1-6,8-9H
InChIKeyBEXKBLOOYLIFRF-UHFFFAOYSA-N
MW253.69 g/mol
LogP3.55
Rot. Bonds1

About 1-(4-chloro-3-pyridinyl)indole-3-carbonitrile

1-(4-chloro-3-pyridinyl)indole-3-carbonitrile (PubChem CID 129239980) has the molecular formula C14H8ClN3 and a molecular weight of 253.69 g/mol. Its IUPAC name is 1-(4-chloro-3-pyridinyl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-(4-chloro-3-pyridinyl)indole-3-carbonitrile
PubChem CID129239980
Molecular FormulaC14H8ClN3
Molecular Weight253.69 g/mol
Exact Mass253.04
IUPAC Name1-(4-chloro-3-pyridinyl)indole-3-carbonitrile
SMILESN#Cc1cn(-c2cnccc2Cl)c2ccccc12
InChIInChI=1S/C14H8ClN3/c15-12-5-6-17-8-14(12)18-9-10(7-16)11-3-1-2-4-13(11)18/h1-6,8-9H
InChIKeyBEXKBLOOYLIFRF-UHFFFAOYSA-N
XLogP3.55
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-pyridinyl)indole-3-carbonitrile?
The IUPAC name of 1-(4-chloro-3-pyridinyl)indole-3-carbonitrile (CID 129239980) is 1-(4-chloro-3-pyridinyl)indole-3-carbonitrile.
What is the SMILES notation for 1-(4-chloro-3-pyridinyl)indole-3-carbonitrile?
The canonical SMILES for 1-(4-chloro-3-pyridinyl)indole-3-carbonitrile is N#Cc1cn(-c2cnccc2Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloro-3-pyridinyl)indole-3-carbonitrile?
The InChIKey is BEXKBLOOYLIFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3/c15-12-5-6-17-8-14(12)18-9-10(7-16)11-3-1-2-4-13(11)18/h1-6,8-9H.
What are the key properties of 1-(4-chloro-3-pyridinyl)indole-3-carbonitrile?
1-(4-chloro-3-pyridinyl)indole-3-carbonitrile has a molecular weight of 253.69 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-pyridinyl)indole-3-carbonitrile is sourced from PubChem (CID 129239980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).