2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid

C8H8F2N2O2 — CID 119006118

IUPAC2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c(C(F)F)c(N)n1
InChIInChI=1S/C8H8F2N2O2/c1-3-2-4(8(13)14)5(6(9)10)7(11)12-3/h2,6H,1H3,(H2,11,12)(H,13,14)
InChIKeyOLBYETHUHGDBSY-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.61
Rot. Bonds2

About 2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid

2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid (PubChem CID 119006118) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
PubChem CID119006118
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c(C(F)F)c(N)n1
InChIInChI=1S/C8H8F2N2O2/c1-3-2-4(8(13)14)5(6(9)10)7(11)12-3/h2,6H,1H3,(H2,11,12)(H,13,14)
InChIKeyOLBYETHUHGDBSY-UHFFFAOYSA-N
XLogP1.61
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 119013647
6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130102115
6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118995761
2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide
CID 118998716
2-chloro-3-(difluoromethyl)-6-fluoropyridine-4-carboxylic acid
CID 119004038
4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 133098511
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130106642
4-amino-3-(difluoromethyl)-6-methylpyridine-2-carboxamide
CID 118851007
methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate
CID 130105552
4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride
CID 118828226
3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide
CID 133098937
2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 119020796

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid (CID 119006118) is 2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)c(C(F)F)c(N)n1.
What is the InChIKey of 2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid?
The InChIKey is OLBYETHUHGDBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-3-2-4(8(13)14)5(6(9)10)7(11)12-3/h2,6H,1H3,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid?
2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid has a molecular weight of 202.16 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 119006118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).