N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide

C14H12BrFN2O — CID 107233891

IUPACN-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
SMILESO=C(NCc1ccc(CBr)cc1)c1ccc(F)cn1
InChIInChI=1S/C14H12BrFN2O/c15-7-10-1-3-11(4-2-10)8-18-14(19)13-6-5-12(16)9-17-13/h1-6,9H,7-8H2,(H,18,19)
InChIKeyNYPSCOMZTWIJGI-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.05
Rot. Bonds4

About N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide

N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide (PubChem CID 107233891) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
PubChem CID107233891
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
SMILESO=C(NCc1ccc(CBr)cc1)c1ccc(F)cn1
InChIInChI=1S/C14H12BrFN2O/c15-7-10-1-3-11(4-2-10)8-18-14(19)13-6-5-12(16)9-17-13/h1-6,9H,7-8H2,(H,18,19)
InChIKeyNYPSCOMZTWIJGI-UHFFFAOYSA-N
XLogP3.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 104638128
N-[(3-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435776
5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide
CID 44540008
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873
6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 60858368
N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104639845
N-[[4-(bromomethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 107233872
5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide
CID 107231717
5-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189695
N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188488

Frequently Asked Questions

What is the IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide (CID 107233891) is N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide is O=C(NCc1ccc(CBr)cc1)c1ccc(F)cn1.
What is the InChIKey of N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is NYPSCOMZTWIJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-7-10-1-3-11(4-2-10)8-18-14(19)13-6-5-12(16)9-17-13/h1-6,9H,7-8H2,(H,18,19).
What are the key properties of N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide?
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 323.17 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 107233891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).