5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid

C13H14N2O3 — CID 91159517

IUPAC5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1C=C(NOCc2ccccc2)C=CC1
InChIInChI=1S/C13H14N2O3/c16-13(17)15-8-4-7-12(9-15)14-18-10-11-5-2-1-3-6-11/h1-7,9,14H,8,10H2,(H,16,17)
InChIKeyCXEFQMUNNACRAL-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.10
Rot. Bonds4

About 5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid

5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid (PubChem CID 91159517) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid
PubChem CID91159517
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1C=C(NOCc2ccccc2)C=CC1
InChIInChI=1S/C13H14N2O3/c16-13(17)15-8-4-7-12(9-15)14-18-10-11-5-2-1-3-6-11/h1-7,9,14H,8,10H2,(H,16,17)
InChIKeyCXEFQMUNNACRAL-UHFFFAOYSA-N
XLogP2.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-3-[(4-fluorophenyl)methoxyamino]cyclopenta-2,4-dien-1-yl]-1-hydroxyurea
CID 57171016
4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91062554
4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91101532
benzyl 3-amino-5-fluoro-2H-pyridine-1-carboxylate
CID 141753640
(N-cbz)-diamino pyridine
CID 129859868
benzyl 4-amino-4H-pyridine-1-carboxylate
CID 10376553
1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea
CID 57048721
1-hydroxy-1-[(1R)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea
CID 57131202
3-Amino-1-phenylmethoxypyridin-2-one;hydron;bromide
CID 68514445
3-Amino-1-phenylmethoxypyridin-2-one
CID 68514446
3-amino-1-benzyloxy-1H-pyridin-2-one hydrogen bromide salt
CID 68514449
2-(Phenylmethoxycarbamoyl)-2,5-dihydropyrrole-1-carboxylic acid
CID 87077693

Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid (CID 91159517) is 5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid is O=C(O)N1C=C(NOCc2ccccc2)C=CC1.
What is the InChIKey of 5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid?
The InChIKey is CXEFQMUNNACRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-13(17)15-8-4-7-12(9-15)14-18-10-11-5-2-1-3-6-11/h1-7,9,14H,8,10H2,(H,16,17).
What are the key properties of 5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid?
5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxyamino)-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 91159517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).