3-chloro-2-(difluoromethyl)-6-methylpyridine

C7H6ClF2N — CID 130095432

IUPAC3-chloro-2-(difluoromethyl)-6-methylpyridine
SMILESCc1ccc(Cl)c(C(F)F)n1
InChIInChI=1S/C7H6ClF2N/c1-4-2-3-5(8)6(11-4)7(9)10/h2-3,7H,1H3
InChIKeyIJIWTJOGOUHKKE-UHFFFAOYSA-N
MW177.58 g/mol
LogP2.98
Rot. Bonds1

About 3-chloro-2-(difluoromethyl)-6-methylpyridine

3-chloro-2-(difluoromethyl)-6-methylpyridine (PubChem CID 130095432) has the molecular formula C7H6ClF2N and a molecular weight of 177.58 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)-6-methylpyridine.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)-6-methylpyridine
PubChem CID130095432
Molecular FormulaC7H6ClF2N
Molecular Weight177.58 g/mol
Exact Mass177.02
IUPAC Name3-chloro-2-(difluoromethyl)-6-methylpyridine
SMILESCc1ccc(Cl)c(C(F)F)n1
InChIInChI=1S/C7H6ClF2N/c1-4-2-3-5(8)6(11-4)7(9)10/h2-3,7H,1H3
InChIKeyIJIWTJOGOUHKKE-UHFFFAOYSA-N
XLogP2.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.58
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethyl)-6-methylpyridine?
The IUPAC name of 3-chloro-2-(difluoromethyl)-6-methylpyridine (CID 130095432) is 3-chloro-2-(difluoromethyl)-6-methylpyridine.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)-6-methylpyridine?
The canonical SMILES for 3-chloro-2-(difluoromethyl)-6-methylpyridine is Cc1ccc(Cl)c(C(F)F)n1.
What is the InChIKey of 3-chloro-2-(difluoromethyl)-6-methylpyridine?
The InChIKey is IJIWTJOGOUHKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N/c1-4-2-3-5(8)6(11-4)7(9)10/h2-3,7H,1H3.
What are the key properties of 3-chloro-2-(difluoromethyl)-6-methylpyridine?
3-chloro-2-(difluoromethyl)-6-methylpyridine has a molecular weight of 177.58 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(difluoromethyl)-6-methylpyridine is sourced from PubChem (CID 130095432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).