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

C13H9BrF2N2O — CID 115497663

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)c1cccc(F)n1
InChIInChI=1S/C13H9BrF2N2O/c14-9-4-5-10(15)8(6-9)7-17-13(19)11-2-1-3-12(16)18-11/h1-6H,7H2,(H,17,19)
InChIKeyWCIWJHYUTYMNDV-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.05
Rot. Bonds3

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

N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide (PubChem CID 115497663) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
PubChem CID115497663
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)c1cccc(F)n1
InChIInChI=1S/C13H9BrF2N2O/c14-9-4-5-10(15)8(6-9)7-17-13(19)11-2-1-3-12(16)18-11/h1-6H,7H2,(H,17,19)
InChIKeyWCIWJHYUTYMNDV-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

N-[(2,5-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323609
N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide
CID 115116512
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 103875325
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787157
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide
CID 103853140
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
CID 46592497

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide (CID 115497663) is N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide is O=C(NCc1cc(Br)ccc1F)c1cccc(F)n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide?
The InChIKey is WCIWJHYUTYMNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-9-4-5-10(15)8(6-9)7-17-13(19)11-2-1-3-12(16)18-11/h1-6H,7H2,(H,17,19).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-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-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115497663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).