6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid

C8H8F2N2O2 — CID 118995761

IUPAC6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
SMILESCc1c(N)ncc(C(=O)O)c1C(F)F
InChIInChI=1S/C8H8F2N2O2/c1-3-5(6(9)10)4(8(13)14)2-12-7(3)11/h2,6H,1H3,(H2,11,12)(H,13,14)
InChIKeyCUVQOWJZQJWEJC-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.61
Rot. Bonds2

About 6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid

6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid (PubChem CID 118995761) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
PubChem CID118995761
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
SMILESCc1c(N)ncc(C(=O)O)c1C(F)F
InChIInChI=1S/C8H8F2N2O2/c1-3-5(6(9)10)4(8(13)14)2-12-7(3)11/h2,6H,1H3,(H2,11,12)(H,13,14)
InChIKeyCUVQOWJZQJWEJC-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

4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118829655
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid
CID 118835162
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119006652
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118994678
4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid
CID 118828922
2-amino-3-(difluoromethyl)-5-methylpyridine-4-carboxylic acid
CID 118996389
6-amino-4-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130107574
5-(difluoromethyl)-4,6-dimethylpyridine-3-carboxamide
CID 130101517
2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 119006118
4-amino-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118818070
2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 119001693
4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118817666

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid (CID 118995761) is 6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid is Cc1c(N)ncc(C(=O)O)c1C(F)F.
What is the InChIKey of 6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid?
The InChIKey is CUVQOWJZQJWEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-3-5(6(9)10)4(8(13)14)2-12-7(3)11/h2,6H,1H3,(H2,11,12)(H,13,14).
What are the key properties of 6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid?
6-amino-4-(difluoromethyl)-5-methylpyridine-3-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 6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 118995761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).