4-(4-bromophenoxy)pyridine-3-carboxamide

C12H9BrN2O2 — CID 147228091

IUPAC4-(4-bromophenoxy)pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1Oc1ccc(Br)cc1
InChIInChI=1S/C12H9BrN2O2/c13-8-1-3-9(4-2-8)17-11-5-6-15-7-10(11)12(14)16/h1-7H,(H2,14,16)
InChIKeyCIJFLUGHQNWERD-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.74
Rot. Bonds3

About 4-(4-bromophenoxy)pyridine-3-carboxamide

4-(4-bromophenoxy)pyridine-3-carboxamide (PubChem CID 147228091) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is 4-(4-bromophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)pyridine-3-carboxamide
PubChem CID147228091
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC Name4-(4-bromophenoxy)pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1Oc1ccc(Br)cc1
InChIInChI=1S/C12H9BrN2O2/c13-8-1-3-9(4-2-8)17-11-5-6-15-7-10(11)12(14)16/h1-7H,(H2,14,16)
InChIKeyCIJFLUGHQNWERD-UHFFFAOYSA-N
XLogP2.74
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 81229679
4-(trideuteriomethoxy)pyridine-3-carboxamide
CID 90115030
2-(4-bromophenoxy)-4-methylbenzamide
CID 62308096
formic acid;4-methoxypyridine-3-carboxamide
CID 67982292
2-(4-bromophenoxy)benzenecarbothioamide
CID 28602302
4-(4-methylsulfanylphenoxy)pyridine-3-carboxylic acid
CID 81226086
5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
CID 113434920
3-bromopyridine-4-carboxamide;hydrochloride
CID 169006653
4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 114672079
4-[(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide
CID 90928467
3-(4-bromophenoxy)-4-(chloromethyl)pyridine
CID 105067647
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)pyridine-3-carboxamide?
The IUPAC name of 4-(4-bromophenoxy)pyridine-3-carboxamide (CID 147228091) is 4-(4-bromophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 4-(4-bromophenoxy)pyridine-3-carboxamide?
The canonical SMILES for 4-(4-bromophenoxy)pyridine-3-carboxamide is NC(=O)c1cnccc1Oc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenoxy)pyridine-3-carboxamide?
The InChIKey is CIJFLUGHQNWERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c13-8-1-3-9(4-2-8)17-11-5-6-15-7-10(11)12(14)16/h1-7H,(H2,14,16).
What are the key properties of 4-(4-bromophenoxy)pyridine-3-carboxamide?
4-(4-bromophenoxy)pyridine-3-carboxamide has a molecular weight of 293.12 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 147228091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).