3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide

C14H12FN3O2 — CID 77054716

IUPAC3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
SMILESCC(=NO)c1ccccc1NC(=O)c1ccncc1F
InChIInChI=1S/C14H12FN3O2/c1-9(18-20)10-4-2-3-5-13(10)17-14(19)11-6-7-16-8-12(11)15/h2-8,20H,1H3,(H,17,19)
InChIKeyAWIPZZMVTSQQSS-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.67
Rot. Bonds3

About 3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide

3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide (PubChem CID 77054716) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
PubChem CID77054716
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
SMILESCC(=NO)c1ccccc1NC(=O)c1ccncc1F
InChIInChI=1S/C14H12FN3O2/c1-9(18-20)10-4-2-3-5-13(10)17-14(19)11-6-7-16-8-12(11)15/h2-8,20H,1H3,(H,17,19)
InChIKeyAWIPZZMVTSQQSS-UHFFFAOYSA-N
XLogP2.67
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
CID 24698005
3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054769
N-[1-(3-fluoro-4-pyridinyl)ethylidene]hydroxylamine;hydrochloride
CID 137005773
2,5-difluoro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24690576
2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24689515
3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 64950888
3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
CID 64951287
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
CID 115645997
3-fluoro-N-(2-propoxyphenyl)pyridine-4-carboxamide
CID 115645463
N-(2-acetylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446255
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dimethylbenzamide
CID 24708814

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide (CID 77054716) is 3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide is CC(=NO)c1ccccc1NC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is AWIPZZMVTSQQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-9(18-20)10-4-2-3-5-13(10)17-14(19)11-6-7-16-8-12(11)15/h2-8,20H,1H3,(H,17,19).
What are the key properties of 3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide?
3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 273.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 77054716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).