4-chloro-3-(difluoromethyl)-2-methoxypyridine

C7H6ClF2NO — CID 118816811

IUPAC4-chloro-3-(difluoromethyl)-2-methoxypyridine
SMILESCOc1nccc(Cl)c1C(F)F
InChIInChI=1S/C7H6ClF2NO/c1-12-7-5(6(9)10)4(8)2-3-11-7/h2-3,6H,1H3
InChIKeyZCTQAPLVKVEKHQ-UHFFFAOYSA-N
MW193.58 g/mol
LogP2.68
Rot. Bonds2

About 4-chloro-3-(difluoromethyl)-2-methoxypyridine

4-chloro-3-(difluoromethyl)-2-methoxypyridine (PubChem CID 118816811) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-2-methoxypyridine.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-2-methoxypyridine
PubChem CID118816811
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name4-chloro-3-(difluoromethyl)-2-methoxypyridine
SMILESCOc1nccc(Cl)c1C(F)F
InChIInChI=1S/C7H6ClF2NO/c1-12-7-5(6(9)10)4(8)2-3-11-7/h2-3,6H,1H3
InChIKeyZCTQAPLVKVEKHQ-UHFFFAOYSA-N
XLogP2.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-2-methoxypyridine?
The IUPAC name of 4-chloro-3-(difluoromethyl)-2-methoxypyridine (CID 118816811) is 4-chloro-3-(difluoromethyl)-2-methoxypyridine.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-2-methoxypyridine?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-2-methoxypyridine is COc1nccc(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-2-methoxypyridine?
The InChIKey is ZCTQAPLVKVEKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c1-12-7-5(6(9)10)4(8)2-3-11-7/h2-3,6H,1H3.
What are the key properties of 4-chloro-3-(difluoromethyl)-2-methoxypyridine?
4-chloro-3-(difluoromethyl)-2-methoxypyridine has a molecular weight of 193.58 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(difluoromethyl)-2-methoxypyridine is sourced from PubChem (CID 118816811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).