5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid

C12H9F2N3O2 — CID 114405229

IUPAC5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H9F2N3O2/c13-6-3-7(14)5-8(4-6)16-11-9(15)1-2-10(17-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeySFGDHZZMSQZJGQ-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.38
Rot. Bonds3

About 5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid

5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid (PubChem CID 114405229) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is 5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid
PubChem CID114405229
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Name5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H9F2N3O2/c13-6-3-7(14)5-8(4-6)16-11-9(15)1-2-10(17-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeySFGDHZZMSQZJGQ-UHFFFAOYSA-N
XLogP2.38
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107637898
5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid
CID 114405280
5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid
CID 114405561
5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid
CID 114405495
5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid
CID 107615648
5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid
CID 114407056
5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 114407286
methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114254932
2-N-(3,5-difluorophenyl)-6-methoxypyridine-2,3-diamine
CID 115320365
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 114404952
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid
CID 114406135

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid (CID 114405229) is 5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1Nc1cc(F)cc(F)c1.
What is the InChIKey of 5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid?
The InChIKey is SFGDHZZMSQZJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c13-6-3-7(14)5-8(4-6)16-11-9(15)1-2-10(17-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid?
5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid has a molecular weight of 265.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114405229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).