2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid

C13H11FN2O2 — CID 58989809

IUPAC2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid
SMILESO=C(O)c1c(F)cccc1NCc1ccncc1
InChIInChI=1S/C13H11FN2O2/c14-10-2-1-3-11(12(10)13(17)18)16-8-9-4-6-15-7-5-9/h1-7,16H,8H2,(H,17,18)
InChIKeyWJHTURFXANZUCM-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.53
Rot. Bonds4

About 2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid

2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid (PubChem CID 58989809) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid
PubChem CID58989809
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid
SMILESO=C(O)c1c(F)cccc1NCc1ccncc1
InChIInChI=1S/C13H11FN2O2/c14-10-2-1-3-11(12(10)13(17)18)16-8-9-4-6-15-7-5-9/h1-7,16H,8H2,(H,17,18)
InChIKeyWJHTURFXANZUCM-UHFFFAOYSA-N
XLogP2.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid
CID 79522270
2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
CID 79522747
2-fluoro-6-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 79522275
1-[2-(benzylamino)-6-fluorophenyl]ethanone
CID 52521850
2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid
CID 82754906
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
2-fluoro-6-(prop-2-ynylamino)benzoic acid
CID 79522669
2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710779
2-fluoro-6-[2-(4-fluorophenyl)ethylamino]benzoic acid
CID 79521946
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-fluorobenzoic acid
CID 106377662
2-fluoro-3-methyl-N-(pyridin-4-ylmethyl)aniline
CID 115904322
3-[(2-carbamoyl-3-fluoroanilino)methyl]benzoic acid
CID 79515578

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid?
The IUPAC name of 2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid (CID 58989809) is 2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid?
The canonical SMILES for 2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid is O=C(O)c1c(F)cccc1NCc1ccncc1.
What is the InChIKey of 2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid?
The InChIKey is WJHTURFXANZUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-10-2-1-3-11(12(10)13(17)18)16-8-9-4-6-15-7-5-9/h1-7,16H,8H2,(H,17,18).
What are the key properties of 2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid?
2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid has a molecular weight of 246.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid is sourced from PubChem (CID 58989809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).