3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine

C9H6ClF2N3 — CID 141187015

IUPAC3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)c1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C9H6ClF2N3/c10-6-2-1-4-13-9(6)15-5-3-7(14-15)8(11)12/h1-5,8H
InChIKeyGYLCPIRWKYBNQT-UHFFFAOYSA-N
MW229.62 g/mol
LogP2.86
Rot. Bonds2

About 3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine

3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 141187015) has the molecular formula C9H6ClF2N3 and a molecular weight of 229.62 g/mol. Its IUPAC name is 3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine
PubChem CID141187015
Molecular FormulaC9H6ClF2N3
Molecular Weight229.62 g/mol
Exact Mass229.02
IUPAC Name3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)c1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C9H6ClF2N3/c10-6-2-1-4-13-9(6)15-5-3-7(14-15)8(11)12/h1-5,8H
InChIKeyGYLCPIRWKYBNQT-UHFFFAOYSA-N
XLogP2.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine (CID 141187015) is 3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine is FC(F)c1ccn(-c2ncccc2Cl)n1.
What is the InChIKey of 3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is GYLCPIRWKYBNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF2N3/c10-6-2-1-4-13-9(6)15-5-3-7(14-15)8(11)12/h1-5,8H.
What are the key properties of 3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine?
3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 229.62 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 141187015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).