5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide

C9H10F2N2O — CID 130101518

IUPAC5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide
SMILESCc1cc(C(N)=O)nc(C)c1C(F)F
InChIInChI=1S/C9H10F2N2O/c1-4-3-6(9(12)14)13-5(2)7(4)8(10)11/h3,8H,1-2H3,(H2,12,14)
InChIKeyIPJPHVPGXFMTLB-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.73
Rot. Bonds2

About 5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide

5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide (PubChem CID 130101518) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide
PubChem CID130101518
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide
SMILESCc1cc(C(N)=O)nc(C)c1C(F)F
InChIInChI=1S/C9H10F2N2O/c1-4-3-6(9(12)14)13-5(2)7(4)8(10)11/h3,8H,1-2H3,(H2,12,14)
InChIKeyIPJPHVPGXFMTLB-UHFFFAOYSA-N
XLogP1.73
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide (CID 130101518) is 5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide is Cc1cc(C(N)=O)nc(C)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide?
The InChIKey is IPJPHVPGXFMTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-4-3-6(9(12)14)13-5(2)7(4)8(10)11/h3,8H,1-2H3,(H2,12,14).
What are the key properties of 5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide?
5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide has a molecular weight of 200.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 130101518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).