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

C8H5ClF5NO — CID 130073839

IUPAC6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1nc(Cl)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H5ClF5NO/c1-16-7-5(8(12,13)14)3(6(10)11)2-4(9)15-7/h2,6H,1H3
InChIKeyQEVNEPHPVIOGKI-UHFFFAOYSA-N
MW261.58 g/mol
LogP3.70
Rot. Bonds2

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

6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine (PubChem CID 130073839) has the molecular formula C8H5ClF5NO and a molecular weight of 261.58 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine
PubChem CID130073839
Molecular FormulaC8H5ClF5NO
Molecular Weight261.58 g/mol
Exact Mass261.00
IUPAC Name6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1nc(Cl)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H5ClF5NO/c1-16-7-5(8(12,13)14)3(6(10)11)2-4(9)15-7/h2,6H,1H3
InChIKeyQEVNEPHPVIOGKI-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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

[4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118851695
6-chloro-4-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)pyridine
CID 130073838
2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine
CID 119010463
2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130073856
5-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 133099027
5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine
CID 133100579
3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine
CID 133105630
3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine
CID 134670580
6-chloro-2-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)pyridine
CID 130073844
4-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)pyridin-3-ol
CID 118812322
6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine
CID 130102782
4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118834996

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine (CID 130073839) is 6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine is COc1nc(Cl)cc(C(F)F)c1C(F)(F)F.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine?
The InChIKey is QEVNEPHPVIOGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF5NO/c1-16-7-5(8(12,13)14)3(6(10)11)2-4(9)15-7/h2,6H,1H3.
What are the key properties of 6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine?
6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine has a molecular weight of 261.58 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 130073839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).