3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine

C8H5ClF5N — CID 134672175

IUPAC3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine
SMILESCc1nc(C(F)F)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H5ClF5N/c1-3-6(9)4(8(12,13)14)2-5(15-3)7(10)11/h2,7H,1H3
InChIKeySQGXHWPULLSCMT-UHFFFAOYSA-N
MW245.58 g/mol
LogP4.00
Rot. Bonds1

About 3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine

3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine (PubChem CID 134672175) has the molecular formula C8H5ClF5N and a molecular weight of 245.58 g/mol. Its IUPAC name is 3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine
PubChem CID134672175
Molecular FormulaC8H5ClF5N
Molecular Weight245.58 g/mol
Exact Mass245.00
IUPAC Name3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine
SMILESCc1nc(C(F)F)cc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H5ClF5N/c1-3-6(9)4(8(12,13)14)2-5(15-3)7(10)11/h2,7H,1H3
InChIKeySQGXHWPULLSCMT-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.58
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-6-(difluoromethyl)-2-methylpyridine-4-sulfonyl chloride
CID 130074580
6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridin-2-amine
CID 119007069
3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
CID 134674506
2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 119003399
2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine
CID 130097653
6-(difluoromethyl)-4-fluoro-3-methyl-2-(trifluoromethyl)pyridine
CID 133105555
6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine
CID 133099440
4-chloro-6-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 130074517
6-(difluoromethyl)-2-fluoro-4-methyl-3-(trifluoromethyl)pyridine
CID 133105561
ethyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134673701
6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine
CID 130112855
[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 130087693

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine (CID 134672175) is 3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine is Cc1nc(C(F)F)cc(C(F)(F)F)c1Cl.
What is the InChIKey of 3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine?
The InChIKey is SQGXHWPULLSCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF5N/c1-3-6(9)4(8(12,13)14)2-5(15-3)7(10)11/h2,7H,1H3.
What are the key properties of 3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine?
3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine has a molecular weight of 245.58 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 134672175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).