1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile

C10H6ClN3 — CID 114653245

IUPAC1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ncccc1Cl
InChIInChI=1S/C10H6ClN3/c11-9-4-1-5-13-10(9)14-6-2-3-8(14)7-12/h1-6H
InChIKeyTUTSWYZLCMPNSI-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.40
Rot. Bonds1

About 1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile

1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile (PubChem CID 114653245) has the molecular formula C10H6ClN3 and a molecular weight of 203.63 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile
PubChem CID114653245
Molecular FormulaC10H6ClN3
Molecular Weight203.63 g/mol
Exact Mass203.03
IUPAC Name1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ncccc1Cl
InChIInChI=1S/C10H6ClN3/c11-9-4-1-5-13-10(9)14-6-2-3-8(14)7-12/h1-6H
InChIKeyTUTSWYZLCMPNSI-UHFFFAOYSA-N
XLogP2.40
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile
CID 114649836
2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid
CID 114650657
1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653386
1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile
CID 95564348
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
CID 3717416
1-pyridin-2-ylpyrrole-2-carbonitrile
CID 114653179
1-(2-chloro-4-cyanophenyl)pyrrole-2-carbonitrile
CID 114650817
1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
CID 154110164
1-(3-chloro-2-pyridinyl)pyrrole-2-carbothioamide
CID 114654330
6-chloro-2-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid
CID 114650684
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]benzonitrile
CID 133274035
6-(2-cyanopyrrol-1-yl)pyridine-3-carbonitrile
CID 114650786

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile (CID 114653245) is 1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile is N#Cc1cccn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile?
The InChIKey is TUTSWYZLCMPNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3/c11-9-4-1-5-13-10(9)14-6-2-3-8(14)7-12/h1-6H.
What are the key properties of 1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile?
1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile has a molecular weight of 203.63 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 114653245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).