5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile

C14H8ClN3 — CID 58215807

IUPAC5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile
SMILESN#Cc1c(-c2cccnc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H8ClN3/c15-10-3-4-13-11(6-10)12(7-16)14(18-13)9-2-1-5-17-8-9/h1-6,8,18H
InChIKeyAHNDZSZQGQBRNL-UHFFFAOYSA-N
MW253.69 g/mol
LogP3.75
Rot. Bonds1

About 5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile

5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile (PubChem CID 58215807) has the molecular formula C14H8ClN3 and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile
PubChem CID58215807
Molecular FormulaC14H8ClN3
Molecular Weight253.69 g/mol
Exact Mass253.04
IUPAC Name5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile
SMILESN#Cc1c(-c2cccnc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H8ClN3/c15-10-3-4-13-11(6-10)12(7-16)14(18-13)9-2-1-5-17-8-9/h1-6,8,18H
InChIKeyAHNDZSZQGQBRNL-UHFFFAOYSA-N
XLogP3.75
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile?
The IUPAC name of 5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile (CID 58215807) is 5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile?
The canonical SMILES for 5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile is N#Cc1c(-c2cccnc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile?
The InChIKey is AHNDZSZQGQBRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3/c15-10-3-4-13-11(6-10)12(7-16)14(18-13)9-2-1-5-17-8-9/h1-6,8,18H.
What are the key properties of 5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile?
5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile has a molecular weight of 253.69 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile is sourced from PubChem (CID 58215807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).