2-fluoro-5-(pyridin-3-ylamino)benzoic acid

C12H9FN2O2 — CID 82537495

IUPAC2-fluoro-5-(pyridin-3-ylamino)benzoic acid
SMILESO=C(O)c1cc(Nc2cccnc2)ccc1F
InChIInChI=1S/C12H9FN2O2/c13-11-4-3-8(6-10(11)12(16)17)15-9-2-1-5-14-7-9/h1-7,15H,(H,16,17)
InChIKeyMAPJZKOJUTVUIM-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.66
Rot. Bonds3

About 2-fluoro-5-(pyridin-3-ylamino)benzoic acid

2-fluoro-5-(pyridin-3-ylamino)benzoic acid (PubChem CID 82537495) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-fluoro-5-(pyridin-3-ylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(pyridin-3-ylamino)benzoic acid
PubChem CID82537495
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name2-fluoro-5-(pyridin-3-ylamino)benzoic acid
SMILESO=C(O)c1cc(Nc2cccnc2)ccc1F
InChIInChI=1S/C12H9FN2O2/c13-11-4-3-8(6-10(11)12(16)17)15-9-2-1-5-14-7-9/h1-7,15H,(H,16,17)
InChIKeyMAPJZKOJUTVUIM-UHFFFAOYSA-N
XLogP2.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
4-fluoro-2-(pyridin-3-ylamino)benzoic acid
CID 139804655
2-(oxaloamino)-4-(pyridin-3-ylamino)benzoic acid
CID 70244357
4-(pyridin-3-ylamino)benzoic acid
CID 62231528
4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
CID 43143000
2-fluoro-5-(pyrimidin-5-ylcarbamoylamino)benzoic acid
CID 107589277
2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445446
5-[4-(dimethylamino)anilino]-2-fluorobenzoic acid
CID 82536536
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
5-(2-chloroanilino)-2-fluorobenzoic acid
CID 82536969
2-fluoro-N-pyridin-3-yl-5-sulfanylbenzamide
CID 107019647
methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate
CID 23068205

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(pyridin-3-ylamino)benzoic acid?
The IUPAC name of 2-fluoro-5-(pyridin-3-ylamino)benzoic acid (CID 82537495) is 2-fluoro-5-(pyridin-3-ylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(pyridin-3-ylamino)benzoic acid?
The canonical SMILES for 2-fluoro-5-(pyridin-3-ylamino)benzoic acid is O=C(O)c1cc(Nc2cccnc2)ccc1F.
What is the InChIKey of 2-fluoro-5-(pyridin-3-ylamino)benzoic acid?
The InChIKey is MAPJZKOJUTVUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-11-4-3-8(6-10(11)12(16)17)15-9-2-1-5-14-7-9/h1-7,15H,(H,16,17).
What are the key properties of 2-fluoro-5-(pyridin-3-ylamino)benzoic acid?
2-fluoro-5-(pyridin-3-ylamino)benzoic acid has a molecular weight of 232.21 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(pyridin-3-ylamino)benzoic acid is sourced from PubChem (CID 82537495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).