4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid

C8H7F2NO3 — CID 137377276

IUPAC4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(C(F)F)cc1=O
InChIInChI=1S/C8H7F2NO3/c1-11-3-5(8(13)14)4(7(9)10)2-6(11)12/h2-3,7H,1H3,(H,13,14)
InChIKeyNALBYNRTRXWVOQ-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.02
Rot. Bonds2

About 4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid

4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid (PubChem CID 137377276) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid
PubChem CID137377276
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(C(F)F)cc1=O
InChIInChI=1S/C8H7F2NO3/c1-11-3-5(8(13)14)4(7(9)10)2-6(11)12/h2-3,7H,1H3,(H,13,14)
InChIKeyNALBYNRTRXWVOQ-UHFFFAOYSA-N
XLogP1.02
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid (CID 137377276) is 4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid is Cn1cc(C(=O)O)c(C(F)F)cc1=O.
What is the InChIKey of 4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is NALBYNRTRXWVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-11-3-5(8(13)14)4(7(9)10)2-6(11)12/h2-3,7H,1H3,(H,13,14).
What are the key properties of 4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid?
4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 203.14 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 137377276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).