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

C8H8F2N2O2 — CID 130106575

IUPAC5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid
SMILESCc1c(C(F)F)ncc(N)c1C(=O)O
InChIInChI=1S/C8H8F2N2O2/c1-3-5(8(13)14)4(11)2-12-6(3)7(9)10/h2,7H,11H2,1H3,(H,13,14)
InChIKeyCKNLDKMRJGRQQN-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.61
Rot. Bonds2

About 5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid

5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid (PubChem CID 130106575) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid
PubChem CID130106575
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid
SMILESCc1c(C(F)F)ncc(N)c1C(=O)O
InChIInChI=1S/C8H8F2N2O2/c1-3-5(8(13)14)4(11)2-12-6(3)7(9)10/h2,7H,11H2,1H3,(H,13,14)
InChIKeyCKNLDKMRJGRQQN-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-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118854325
4-amino-2-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130104265
2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 134663918
3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130109731
5-(aminomethyl)-6-(difluoromethyl)-4-methylpyridin-3-amine
CID 130106307
ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 133084245
4-(bromomethyl)-6-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106337
6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118814694
methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
CID 133105275
ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134673659
5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid
CID 134683272
2-(difluoromethyl)-5-hydroxy-4-methylpyridine-3-carboxamide
CID 118826495

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid?
The IUPAC name of 5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid (CID 130106575) is 5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid is Cc1c(C(F)F)ncc(N)c1C(=O)O.
What is the InChIKey of 5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid?
The InChIKey is CKNLDKMRJGRQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-3-5(8(13)14)4(11)2-12-6(3)7(9)10/h2,7H,11H2,1H3,(H,13,14).
What are the key properties of 5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid?
5-amino-2-(difluoromethyl)-3-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 5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 130106575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).