2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

C14H11BrF2N2O2 — CID 103754084

IUPAC2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)c1cccnc1Br
InChIInChI=1S/C14H11BrF2N2O2/c15-12-10(5-3-7-18-12)13(20)19-8-9-4-1-2-6-11(9)21-14(16)17/h1-7,14H,8H2,(H,19,20)
InChIKeyQGZSAPKINAXIGZ-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.38
Rot. Bonds5

About 2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 103754084) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID103754084
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)c1cccnc1Br
InChIInChI=1S/C14H11BrF2N2O2/c15-12-10(5-3-7-18-12)13(20)19-8-9-4-1-2-6-11(9)21-14(16)17/h1-7,14H,8H2,(H,19,20)
InChIKeyQGZSAPKINAXIGZ-UHFFFAOYSA-N
XLogP3.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
CID 107358541
N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 86998055
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820
N-[[2-(difluoromethoxy)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87008423
2-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide
CID 25482014
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 30462324
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
1-[(5-bromothiophene-2-carbonyl)amino]-3-[[2-(difluoromethoxy)phenyl]methyl]urea
CID 78834052
N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 70650678
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103770405
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 103754084) is 2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccccc1OC(F)F)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is QGZSAPKINAXIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c15-12-10(5-3-7-18-12)13(20)19-8-9-4-1-2-6-11(9)21-14(16)17/h1-7,14H,8H2,(H,19,20).
What are the key properties of 2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 357.15 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103754084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).