3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide

C14H11BrF2N2O2 — CID 107518753

IUPAC3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1ncccc1Br
InChIInChI=1S/C14H11BrF2N2O2/c15-11-2-1-7-18-12(11)13(20)19-8-9-3-5-10(6-4-9)21-14(16)17/h1-7,14H,8H2,(H,19,20)
InChIKeySBASGKOLPTXDAK-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.38
Rot. Bonds5

About 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide

3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 107518753) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
PubChem CID107518753
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1ncccc1Br
InChIInChI=1S/C14H11BrF2N2O2/c15-11-2-1-7-18-12(11)13(20)19-8-9-3-5-10(6-4-9)21-14(16)17/h1-7,14H,8H2,(H,19,20)
InChIKeySBASGKOLPTXDAK-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

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Related Compounds

2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
methyl 4-[[(3-bromopyridine-2-carbonyl)amino]methyl]benzoate
CID 107518096
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 103753941
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122
3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 107518301
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518917
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 36873297
3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 107519523
N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide
CID 134021244
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide (CID 107518753) is 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide is O=C(NCc1ccc(OC(F)F)cc1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is SBASGKOLPTXDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c15-11-2-1-7-18-12(11)13(20)19-8-9-3-5-10(6-4-9)21-14(16)17/h1-7,14H,8H2,(H,19,20).
What are the key properties of 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide?
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-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 3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).