1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile

C11H5ClF3N3 — CID 3717416

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H5ClF3N3/c12-9-4-7(11(13,14)15)6-17-10(9)18-3-1-2-8(18)5-16/h1-4,6H
InChIKeyJNRVSZLYCPDCOP-UHFFFAOYSA-N
MW271.63 g/mol
LogP3.42
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile (PubChem CID 3717416) has the molecular formula C11H5ClF3N3 and a molecular weight of 271.63 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
PubChem CID3717416
Molecular FormulaC11H5ClF3N3
Molecular Weight271.63 g/mol
Exact Mass271.01
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H5ClF3N3/c12-9-4-7(11(13,14)15)6-17-10(9)18-3-1-2-8(18)5-16/h1-4,6H
InChIKeyJNRVSZLYCPDCOP-UHFFFAOYSA-N
XLogP3.42
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653245
2-bromo-1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanone
CID 87686993
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 26452877
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]sulfonylpiperazine
CID 5102340
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 3851582
[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbothioyl]amino]methylidene-dimethylazanium
CID 6346199
3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine
CID 54246481
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]urea
CID 3838553
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(2,4,6-trichlorophenyl)pyrrole-2-carbohydrazide
CID 87686488
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide
CID 90379792
4-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzonitrile
CID 8908387

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile (CID 3717416) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile is N#Cc1cccn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile?
The InChIKey is JNRVSZLYCPDCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N3/c12-9-4-7(11(13,14)15)6-17-10(9)18-3-1-2-8(18)5-16/h1-4,6H.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile has a molecular weight of 271.63 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 3717416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).