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

C8H8F2N2O3 — CID 118845538

IUPAC4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid
SMILESCOc1nc(C(F)F)cc(N)c1C(=O)O
InChIInChI=1S/C8H8F2N2O3/c1-15-7-5(8(13)14)3(11)2-4(12-7)6(9)10/h2,6H,1H3,(H2,11,12)(H,13,14)
InChIKeyKWPKYWQKGJFXJO-UHFFFAOYSA-N
MW218.16 g/mol
LogP1.31
Rot. Bonds3

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

4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid (PubChem CID 118845538) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is 4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid
PubChem CID118845538
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid
SMILESCOc1nc(C(F)F)cc(N)c1C(=O)O
InChIInChI=1S/C8H8F2N2O3/c1-15-7-5(8(13)14)3(11)2-4(12-7)6(9)10/h2,6H,1H3,(H2,11,12)(H,13,14)
InChIKeyKWPKYWQKGJFXJO-UHFFFAOYSA-N
XLogP1.31
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118851166
6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
CID 130100962
methyl 2-[4-amino-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134683257
4-amino-6-(difluoromethyl)-2-methoxypyridine-3-sulfonamide
CID 118817873
4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid
CID 118806000
4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 152778193
4-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylic acid
CID 118812854
methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130103675
4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118828873
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643
6-(difluoromethyl)-3-fluoro-2-methoxypyridine-4-carbonyl chloride
CID 133105557
6-amino-4-chloro-2-methoxypyridine-3-carboxylic acid
CID 70318637

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid (CID 118845538) is 4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid is COc1nc(C(F)F)cc(N)c1C(=O)O.
What is the InChIKey of 4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid?
The InChIKey is KWPKYWQKGJFXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c1-15-7-5(8(13)14)3(11)2-4(12-7)6(9)10/h2,6H,1H3,(H2,11,12)(H,13,14).
What are the key properties of 4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid?
4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid has a molecular weight of 218.16 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 118845538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).