2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine

C8H5ClF5NO — CID 119010463

IUPAC2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1nc(Cl)c(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H5ClF5NO/c1-16-7-3(6(10)11)2-4(5(9)15-7)8(12,13)14/h2,6H,1H3
InChIKeySBXAEKOXSABYMA-UHFFFAOYSA-N
MW261.58 g/mol
LogP3.70
Rot. Bonds2

About 2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine

2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine (PubChem CID 119010463) has the molecular formula C8H5ClF5NO and a molecular weight of 261.58 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine
PubChem CID119010463
Molecular FormulaC8H5ClF5NO
Molecular Weight261.58 g/mol
Exact Mass261.00
IUPAC Name2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1nc(Cl)c(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H5ClF5NO/c1-16-7-3(6(10)11)2-4(5(9)15-7)8(12,13)14/h2,6H,1H3
InChIKeySBXAEKOXSABYMA-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

[5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 133099748
3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine
CID 133105630
methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133099603
2-bromo-6-chloro-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119019524
6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine
CID 130073839
2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine
CID 119011483
2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine
CID 134106504
2-chloro-3-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine
CID 119007178
5-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 133099027
[3-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068914
4-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)pyridin-3-ol
CID 118812322
5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 134666852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine (CID 119010463) is 2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine is COc1nc(Cl)c(C(F)(F)F)cc1C(F)F.
What is the InChIKey of 2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine?
The InChIKey is SBXAEKOXSABYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF5NO/c1-16-7-3(6(10)11)2-4(5(9)15-7)8(12,13)14/h2,6H,1H3.
What are the key properties of 2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine?
2-chloro-5-(difluoromethyl)-6-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 2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 119010463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).