4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid

C20H15FN2O4 — CID 23153373

IUPAC4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(-c2ccnc(C(=O)O)c2)cc1F)OCc1ccccc1
InChIInChI=1S/C20H15FN2O4/c21-16-10-14(15-8-9-22-18(11-15)19(24)25)6-7-17(16)23-20(26)27-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,26)(H,24,25)
InChIKeyXTIFQAZRLRUKLA-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.33
Rot. Bonds5

About 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid

4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid (PubChem CID 23153373) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid
PubChem CID23153373
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC Name4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(-c2ccnc(C(=O)O)c2)cc1F)OCc1ccccc1
InChIInChI=1S/C20H15FN2O4/c21-16-10-14(15-8-9-22-18(11-15)19(24)25)6-7-17(16)23-20(26)27-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,26)(H,24,25)
InChIKeyXTIFQAZRLRUKLA-UHFFFAOYSA-N
XLogP4.33
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2762870
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4-(3-(2-Phenylacetamido)phenyl)pyridine-2,6-dicarboxylic acid
CID 137658451
[2-[4-(2,2-Dimethylpropanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate
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CID 10159855
US8609678, 4-((4-fluorophenyl)(methoxy)(pyridin-2-yl)methyl)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide [142]
CID 87356086
[2-[4-(Hexanoylamino)phenyl]-2-oxoethyl] pyridine-2-carboxylate
CID 7477362
N6-[(Benzyloxy)carbonyl]-N2-isonicotinoyl-L-lysine
CID 44586492
4-phenylpyridine-2-carboxylic Acid
CID 2762843
methyl 4-[(E,4R)-5-(2-fluoroethylamino)-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-2-pyridin-3-ylpent-2-enyl]benzoate
CID 5459603
Benzenemethanamine, alpha-phenyl-, 2-pyridinecarboxylate
CID 3075103

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid (CID 23153373) is 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid is O=C(Nc1ccc(-c2ccnc(C(=O)O)c2)cc1F)OCc1ccccc1.
What is the InChIKey of 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid?
The InChIKey is XTIFQAZRLRUKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c21-16-10-14(15-8-9-22-18(11-15)19(24)25)6-7-17(16)23-20(26)27-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,26)(H,24,25).
What are the key properties of 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid?
4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid has a molecular weight of 366.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 23153373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).