N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide

C13H11FN2O2 — CID 141171449

IUPACN-(fluoromethyl)-N-phenoxypyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(CF)Oc1ccccc1
InChIInChI=1S/C13H11FN2O2/c14-10-16(18-11-6-2-1-3-7-11)13(17)12-8-4-5-9-15-12/h1-9H,10H2
InChIKeyAASPELMWEUZWOP-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.44
Rot. Bonds4

About N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide

N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide (PubChem CID 141171449) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(fluoromethyl)-N-phenoxypyridine-2-carboxamide
PubChem CID141171449
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC NameN-(fluoromethyl)-N-phenoxypyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(CF)Oc1ccccc1
InChIInChI=1S/C13H11FN2O2/c14-10-16(18-11-6-2-1-3-7-11)13(17)12-8-4-5-9-15-12/h1-9H,10H2
InChIKeyAASPELMWEUZWOP-UHFFFAOYSA-N
XLogP2.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide
CID 90839131
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
gadolinium;pyridine-2-carboxylic acid
CID 175231422
N-methylpyridine-2-carbohydrazide
CID 45084309
hafnium;pyridine-2-carboxylic acid
CID 175130925
pyridine-2-carboxylic acid;tungsten
CID 88770661
CID 173156131
CID 173156131
CID 175246691
CID 175246691
europium;pyridine-2-carboxylic acid
CID 174808227
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
methyl 2-[methyl(pyridine-2-carbonyl)amino]acetate
CID 43407333
[pyridine-2-carbonyl(sulfomethyl)amino]methanesulfonic acid
CID 90695309

Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide?
The IUPAC name of N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide (CID 141171449) is N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide.
What is the SMILES notation for N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide?
The canonical SMILES for N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide is O=C(c1ccccn1)N(CF)Oc1ccccc1.
What is the InChIKey of N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide?
The InChIKey is AASPELMWEUZWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-10-16(18-11-6-2-1-3-7-11)13(17)12-8-4-5-9-15-12/h1-9H,10H2.
What are the key properties of N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide?
N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide has a molecular weight of 246.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide is sourced from PubChem (CID 141171449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).