2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile

C10H6ClF3N2 — CID 169227018

IUPAC2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2CC2C(F)(F)F)nc1Cl
InChIInChI=1S/C10H6ClF3N2/c11-9-5(4-15)1-2-8(16-9)6-3-7(6)10(12,13)14/h1-2,6-7H,3H2
InChIKeyQSIPLABSBSQSAO-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.27
Rot. Bonds1

About 2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile

2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile (PubChem CID 169227018) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile
PubChem CID169227018
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2CC2C(F)(F)F)nc1Cl
InChIInChI=1S/C10H6ClF3N2/c11-9-5(4-15)1-2-8(16-9)6-3-7(6)10(12,13)14/h1-2,6-7H,3H2
InChIKeyQSIPLABSBSQSAO-UHFFFAOYSA-N
XLogP3.27
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile (CID 169227018) is 2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile is N#Cc1ccc(C2CC2C(F)(F)F)nc1Cl.
What is the InChIKey of 2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile?
The InChIKey is QSIPLABSBSQSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-9-5(4-15)1-2-8(16-9)6-3-7(6)10(12,13)14/h1-2,6-7H,3H2.
What are the key properties of 2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile?
2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile has a molecular weight of 246.62 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile is sourced from PubChem (CID 169227018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).