2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C12H5ClF3N3 — CID 87895153

IUPAC2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccncc2)nc1Cl
InChIInChI=1S/C12H5ClF3N3/c13-11-8(6-17)9(12(14,15)16)5-10(19-11)7-1-3-18-4-2-7/h1-5H
InChIKeySFLMBROQCKXWSO-UHFFFAOYSA-N
MW283.64 g/mol
LogP3.69
Rot. Bonds1

About 2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 87895153) has the molecular formula C12H5ClF3N3 and a molecular weight of 283.64 g/mol. Its IUPAC name is 2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID87895153
Molecular FormulaC12H5ClF3N3
Molecular Weight283.64 g/mol
Exact Mass283.01
IUPAC Name2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccncc2)nc1Cl
InChIInChI=1S/C12H5ClF3N3/c13-11-8(6-17)9(12(14,15)16)5-10(19-11)7-1-3-18-4-2-7/h1-5H
InChIKeySFLMBROQCKXWSO-UHFFFAOYSA-N
XLogP3.69
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.64
LogP ≤ 53.69
H-Bond Donors ≤ 50
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-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 87895153) is 2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccncc2)nc1Cl.
What is the InChIKey of 2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is SFLMBROQCKXWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF3N3/c13-11-8(6-17)9(12(14,15)16)5-10(19-11)7-1-3-18-4-2-7/h1-5H.
What are the key properties of 2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 283.64 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 87895153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).