N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide

C13H12FN3O2 — CID 104638035

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide
SMILESNc1ccc(O)c(CNC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C13H12FN3O2/c14-9-1-3-11(16-7-9)13(19)17-6-8-5-10(15)2-4-12(8)18/h1-5,7,18H,6,15H2,(H,17,19)
InChIKeyUGZRMBMMRWIUFI-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.44
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide

N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide (PubChem CID 104638035) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide
PubChem CID104638035
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide
SMILESNc1ccc(O)c(CNC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C13H12FN3O2/c14-9-1-3-11(16-7-9)13(19)17-6-8-5-10(15)2-4-12(8)18/h1-5,7,18H,6,15H2,(H,17,19)
InChIKeyUGZRMBMMRWIUFI-UHFFFAOYSA-N
XLogP1.44
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
N-[(3-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435776
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873
N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 43548732
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
CID 62514243
N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
CID 43548733
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891
4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 104638128
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide
CID 62954591
5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide
CID 104639396

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide (CID 104638035) is N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide is Nc1ccc(O)c(CNC(=O)c2ccc(F)cn2)c1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is UGZRMBMMRWIUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-9-1-3-11(16-7-9)13(19)17-6-8-5-10(15)2-4-12(8)18/h1-5,7,18H,6,15H2,(H,17,19).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104638035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).