2-(3-chloro-1,1-difluoropropyl)pyridine

C8H8ClF2N — CID 178189978

IUPAC2-(3-chloro-1,1-difluoropropyl)pyridine
SMILESFC(F)(CCCl)c1ccccn1
InChIInChI=1S/C8H8ClF2N/c9-5-4-8(10,11)7-3-1-2-6-12-7/h1-3,6H,4-5H2
InChIKeyIDBQQVKGWRZPLW-UHFFFAOYSA-N
MW191.61 g/mol
LogP2.80
Rot. Bonds3

About 2-(3-chloro-1,1-difluoropropyl)pyridine

2-(3-chloro-1,1-difluoropropyl)pyridine (PubChem CID 178189978) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 2-(3-chloro-1,1-difluoropropyl)pyridine.

Molecular Properties

Compound Name2-(3-chloro-1,1-difluoropropyl)pyridine
PubChem CID178189978
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name2-(3-chloro-1,1-difluoropropyl)pyridine
SMILESFC(F)(CCCl)c1ccccn1
InChIInChI=1S/C8H8ClF2N/c9-5-4-8(10,11)7-3-1-2-6-12-7/h1-3,6H,4-5H2
InChIKeyIDBQQVKGWRZPLW-UHFFFAOYSA-N
XLogP2.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-difluoropropyl)pyridine
CID 59088790
5,5-difluoro-5-pyridin-2-ylpentan-1-ol
CID 134969379
fluoro(pyridin-2-yl)methanediamine
CID 67406744
difluoro(pyridin-2-yl)methanamine
CID 83854913
2-(2-azido-1,1-difluoroethyl)pyridine
CID 11805405
2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine
CID 146396997
CID 154704206
CID 154704206
dichloro(pyridin-2-yl)methanol;zirconium
CID 174374690
chloro-dimethyl-[pyridin-2-yl-bis(trimethylsilyl)methyl]silane
CID 102009623
2-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate
CID 83853858
2-[cyclopropyl(difluoro)methyl]pyridine
CID 116841751

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1,1-difluoropropyl)pyridine?
The IUPAC name of 2-(3-chloro-1,1-difluoropropyl)pyridine (CID 178189978) is 2-(3-chloro-1,1-difluoropropyl)pyridine.
What is the SMILES notation for 2-(3-chloro-1,1-difluoropropyl)pyridine?
The canonical SMILES for 2-(3-chloro-1,1-difluoropropyl)pyridine is FC(F)(CCCl)c1ccccn1.
What is the InChIKey of 2-(3-chloro-1,1-difluoropropyl)pyridine?
The InChIKey is IDBQQVKGWRZPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c9-5-4-8(10,11)7-3-1-2-6-12-7/h1-3,6H,4-5H2.
What are the key properties of 2-(3-chloro-1,1-difluoropropyl)pyridine?
2-(3-chloro-1,1-difluoropropyl)pyridine has a molecular weight of 191.61 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1,1-difluoropropyl)pyridine is sourced from PubChem (CID 178189978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).