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

C8H5ClF5NO — CID 119016175

IUPAC2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)c(C(F)F)c(Cl)n1
InChIInChI=1S/C8H5ClF5NO/c1-3-2-4(16-8(12,13)14)5(7(10)11)6(9)15-3/h2,7H,1H3
InChIKeyPSTQSLBZCGMSBZ-UHFFFAOYSA-N
MW261.58 g/mol
LogP3.88
Rot. Bonds2

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

2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine (PubChem CID 119016175) has the molecular formula C8H5ClF5NO and a molecular weight of 261.58 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine
PubChem CID119016175
Molecular FormulaC8H5ClF5NO
Molecular Weight261.58 g/mol
Exact Mass261.00
IUPAC Name2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)c(C(F)F)c(Cl)n1
InChIInChI=1S/C8H5ClF5NO/c1-3-2-4(16-8(12,13)14)5(7(10)11)6(9)15-3/h2,7H,1H3
InChIKeyPSTQSLBZCGMSBZ-UHFFFAOYSA-N
XLogP3.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.58
LogP ≤ 53.88
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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Related Compounds

2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 119001342
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile
CID 118998041
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde
CID 119005034
3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665221
[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118824071
6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine
CID 134666809
2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118994549
2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine
CID 118811897
2-[2-chloro-3-(difluoromethyl)-6-methyl-4-pyridinyl]acetic acid
CID 119019019
2-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 130089695
6-chloro-5-(difluoromethyl)-4-methoxypyridin-2-amine
CID 130102534
2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine
CID 119008935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine?
The IUPAC name of 2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine (CID 119016175) is 2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine is Cc1cc(OC(F)(F)F)c(C(F)F)c(Cl)n1.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine?
The InChIKey is PSTQSLBZCGMSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF5NO/c1-3-2-4(16-8(12,13)14)5(7(10)11)6(9)15-3/h2,7H,1H3.
What are the key properties of 2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine?
2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine has a molecular weight of 261.58 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 119016175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).