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

C14H11BrF2N2O2 — CID 103753941

IUPAC2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1ccnc(Br)c1
InChIInChI=1S/C14H11BrF2N2O2/c15-12-7-10(5-6-18-12)13(20)19-8-9-1-3-11(4-2-9)21-14(16)17/h1-7,14H,8H2,(H,19,20)
InChIKeyAWTXPAMNRKJEHH-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.38
Rot. Bonds5

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

2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 103753941) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
PubChem CID103753941
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1ccnc(Br)c1
InChIInChI=1S/C14H11BrF2N2O2/c15-12-7-10(5-6-18-12)13(20)19-8-9-1-3-11(4-2-9)21-14(16)17/h1-7,14H,8H2,(H,19,20)
InChIKeyAWTXPAMNRKJEHH-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

2-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-4-carboxamide
CID 103751880
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 107518753
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770404
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384629
2-bromo-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 103752408
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430
N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47109455
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 42006153

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide (CID 103753941) is 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(OC(F)F)cc1)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is AWTXPAMNRKJEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c15-12-7-10(5-6-18-12)13(20)19-8-9-1-3-11(4-2-9)21-14(16)17/h1-7,14H,8H2,(H,19,20).
What are the key properties of 2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-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-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 103753941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).