4-(difluoromethyl)-2-methylpyridine-3-carboxamide

C8H8F2N2O — CID 118840150

IUPAC4-(difluoromethyl)-2-methylpyridine-3-carboxamide
SMILESCc1nccc(C(F)F)c1C(N)=O
InChIInChI=1S/C8H8F2N2O/c1-4-6(8(11)13)5(7(9)10)2-3-12-4/h2-3,7H,1H3,(H2,11,13)
InChIKeyISVYQDQHGJIVDQ-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.43
Rot. Bonds2

About 4-(difluoromethyl)-2-methylpyridine-3-carboxamide

4-(difluoromethyl)-2-methylpyridine-3-carboxamide (PubChem CID 118840150) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methylpyridine-3-carboxamide
PubChem CID118840150
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name4-(difluoromethyl)-2-methylpyridine-3-carboxamide
SMILESCc1nccc(C(F)F)c1C(N)=O
InChIInChI=1S/C8H8F2N2O/c1-4-6(8(11)13)5(7(9)10)2-3-12-4/h2-3,7H,1H3,(H2,11,13)
InChIKeyISVYQDQHGJIVDQ-UHFFFAOYSA-N
XLogP1.43
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 4-(difluoromethyl)-2-methylpyridine-3-carboxamide (CID 118840150) is 4-(difluoromethyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-2-methylpyridine-3-carboxamide is Cc1nccc(C(F)F)c1C(N)=O.
What is the InChIKey of 4-(difluoromethyl)-2-methylpyridine-3-carboxamide?
The InChIKey is ISVYQDQHGJIVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c1-4-6(8(11)13)5(7(9)10)2-3-12-4/h2-3,7H,1H3,(H2,11,13).
What are the key properties of 4-(difluoromethyl)-2-methylpyridine-3-carboxamide?
4-(difluoromethyl)-2-methylpyridine-3-carboxamide has a molecular weight of 186.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 118840150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).