4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid

C18H13FN2O2 — CID 162657210

IUPAC4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid
SMILESNc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O2/c19-15-7-5-12(6-8-15)16-9-14(10-21-17(16)20)11-1-3-13(4-2-11)18(22)23/h1-10H,(H2,20,21)(H,22,23)
InChIKeyXGTIBSVSXRGZAU-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.84
Rot. Bonds3

About 4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid

4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid (PubChem CID 162657210) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid
PubChem CID162657210
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid
SMILESNc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O2/c19-15-7-5-12(6-8-15)16-9-14(10-21-17(16)20)11-1-3-13(4-2-11)18(22)23/h1-10H,(H2,20,21)(H,22,23)
InChIKeyXGTIBSVSXRGZAU-UHFFFAOYSA-N
XLogP3.84
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]benzoic Acid
CID 9885167
4-{5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}benzoic acid
CID 11544170
4-Pyridin-3-yl-benzoic acid
CID 1515244
4-[4-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-(2-methylpropyl)benzoic acid
CID 16222940
3-[(E)-2-(5-Chloro-2-guanidino-pyridin-3-yl)-vinyl]-benzoic acid
CID 9948854
4-(5-Heptylpyrimidin-2-yl)benzoic acid
CID 13765519
4,4'-(Pyridine-3,5-diyl)dibenzoic acid
CID 44308079
4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]benzoic acid
CID 53312152
4-[6-(Ethylcarbamoylamino)-3-pyridinyl]benzoic acid
CID 59208509
4-[5-Amino-6-[6-(trifluoromethyl)pyridin-3-yl]pyrazin-2-yl]benzoic acid
CID 124191958
4-[5-Amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzoic acid
CID 124191959
4-(Pyridin-4-yl)benzoic acid
CID 1520811

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid (CID 162657210) is 4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid is Nc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid?
The InChIKey is XGTIBSVSXRGZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-15-7-5-12(6-8-15)16-9-14(10-21-17(16)20)11-1-3-13(4-2-11)18(22)23/h1-10H,(H2,20,21)(H,22,23).
What are the key properties of 4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid?
4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid has a molecular weight of 308.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(4-fluorophenyl)-3-pyridinyl]benzoic acid is sourced from PubChem (CID 162657210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).