3,5-difluoro-N-methylpyridine-2-carboxamide

C7H6F2N2O — CID 58243777

IUPAC3,5-difluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ncc(F)cc1F
InChIInChI=1S/C7H6F2N2O/c1-10-7(12)6-5(9)2-4(8)3-11-6/h2-3H,1H3,(H,10,12)
InChIKeyITSPVURROJTHTP-UHFFFAOYSA-N
MW172.13 g/mol
LogP0.72
Rot. Bonds1

About 3,5-difluoro-N-methylpyridine-2-carboxamide

3,5-difluoro-N-methylpyridine-2-carboxamide (PubChem CID 58243777) has the molecular formula C7H6F2N2O and a molecular weight of 172.13 g/mol. Its IUPAC name is 3,5-difluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-methylpyridine-2-carboxamide
PubChem CID58243777
Molecular FormulaC7H6F2N2O
Molecular Weight172.13 g/mol
Exact Mass172.04
IUPAC Name3,5-difluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ncc(F)cc1F
InChIInChI=1S/C7H6F2N2O/c1-10-7(12)6-5(9)2-4(8)3-11-6/h2-3H,1H3,(H,10,12)
InChIKeyITSPVURROJTHTP-UHFFFAOYSA-N
XLogP0.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of 3,5-difluoro-N-methylpyridine-2-carboxamide (CID 58243777) is 3,5-difluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3,5-difluoro-N-methylpyridine-2-carboxamide is CNC(=O)c1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-methylpyridine-2-carboxamide?
The InChIKey is ITSPVURROJTHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O/c1-10-7(12)6-5(9)2-4(8)3-11-6/h2-3H,1H3,(H,10,12).
What are the key properties of 3,5-difluoro-N-methylpyridine-2-carboxamide?
3,5-difluoro-N-methylpyridine-2-carboxamide has a molecular weight of 172.13 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 58243777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).