N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide

C13H9BrF2N2O — CID 105381021

IUPACN-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1ccnc(F)c1F
InChIInChI=1S/C13H9BrF2N2O/c14-9-3-1-2-8(6-9)7-18-13(19)10-4-5-17-12(16)11(10)15/h1-6H,7H2,(H,18,19)
InChIKeyWOUAJBKLNWFYLT-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.05
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide

N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide (PubChem CID 105381021) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide
PubChem CID105381021
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC NameN-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1ccnc(F)c1F
InChIInChI=1S/C13H9BrF2N2O/c14-9-3-1-2-8(6-9)7-18-13(19)10-4-5-17-12(16)11(10)15/h1-6H,7H2,(H,18,19)
InChIKeyWOUAJBKLNWFYLT-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-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105380764
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 61410155
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61410075
N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917207
2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381189
2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
CID 80980229
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide
CID 114326336
N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62178016
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide (CID 105381021) is N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide is O=C(NCc1cccc(Br)c1)c1ccnc(F)c1F.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide?
The InChIKey is WOUAJBKLNWFYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-9-3-1-2-8(6-9)7-18-13(19)10-4-5-17-12(16)11(10)15/h1-6H,7H2,(H,18,19).
What are the key properties of N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide?
N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-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-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105381021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).