N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide

C13H9BrF2N2O — CID 63978201

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide
SMILESO=C(NCc1cc(F)ccc1Br)c1ccc(F)nc1
InChIInChI=1S/C13H9BrF2N2O/c14-11-3-2-10(15)5-9(11)7-18-13(19)8-1-4-12(16)17-6-8/h1-6H,7H2,(H,18,19)
InChIKeyGWSPGIRWBWLSAR-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.05
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide

N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide (PubChem CID 63978201) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide
PubChem CID63978201
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide
SMILESO=C(NCc1cc(F)ccc1Br)c1ccc(F)nc1
InChIInChI=1S/C13H9BrF2N2O/c14-11-3-2-10(15)5-9(11)7-18-13(19)8-1-4-12(16)17-6-8/h1-6H,7H2,(H,18,19)
InChIKeyGWSPGIRWBWLSAR-UHFFFAOYSA-N
XLogP3.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
N-[(3-bromothiophen-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 78962520
5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide
CID 62954591
4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548854
[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]-2-formylphenyl]boronic acid
CID 166430834
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524304
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 63978404
N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide
CID 60535331
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide (CID 63978201) is N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide is O=C(NCc1cc(F)ccc1Br)c1ccc(F)nc1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide?
The InChIKey is GWSPGIRWBWLSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-11-3-2-10(15)5-9(11)7-18-13(19)8-1-4-12(16)17-6-8/h1-6H,7H2,(H,18,19).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide?
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide has a molecular weight of 327.13 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63978201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).