5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide

C8H7ClF2N2O2 — CID 171547725

IUPAC5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(Cl)cnc1OC(F)F
InChIInChI=1S/C8H7ClF2N2O2/c1-12-6(14)5-2-4(9)3-13-7(5)15-8(10)11/h2-3,8H,1H3,(H,12,14)
InChIKeyBOKCLCWUPTWLJP-UHFFFAOYSA-N
MW236.60 g/mol
LogP1.70
Rot. Bonds3

About 5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide

5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide (PubChem CID 171547725) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.60 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide
PubChem CID171547725
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(Cl)cnc1OC(F)F
InChIInChI=1S/C8H7ClF2N2O2/c1-12-6(14)5-2-4(9)3-13-7(5)15-8(10)11/h2-3,8H,1H3,(H,12,14)
InChIKeyBOKCLCWUPTWLJP-UHFFFAOYSA-N
XLogP1.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.60
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide (CID 171547725) is 5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(Cl)cnc1OC(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide?
The InChIKey is BOKCLCWUPTWLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c1-12-6(14)5-2-4(9)3-13-7(5)15-8(10)11/h2-3,8H,1H3,(H,12,14).
What are the key properties of 5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide?
5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide has a molecular weight of 236.60 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 171547725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).