5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid

C15H13BrN2O3 — CID 154857316

IUPAC5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCCc1ccc(Br)cc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H13BrN2O3/c16-12-4-1-10(2-5-12)7-8-17-14(19)11-3-6-13(15(20)21)18-9-11/h1-6,9H,7-8H2,(H,17,19)(H,20,21)
InChIKeySZVCILZSHVIFNS-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.51
Rot. Bonds5

About 5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid

5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 154857316) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID154857316
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCCc1ccc(Br)cc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H13BrN2O3/c16-12-4-1-10(2-5-12)7-8-17-14(19)11-3-6-13(15(20)21)18-9-11/h1-6,9H,7-8H2,(H,17,19)(H,20,21)
InChIKeySZVCILZSHVIFNS-UHFFFAOYSA-N
XLogP2.51
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414649
5-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106406192
5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 61150263
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978
5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 63331300
5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928233
4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid
CID 107371437
5-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 115588687
5-bromo-N-[2-(4-nitrophenyl)ethyl]pyridine-2-carboxamide
CID 62954085
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149
5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
CID 61408527

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid (CID 154857316) is 5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid is O=C(NCCc1ccc(Br)cc1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is SZVCILZSHVIFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-12-4-1-10(2-5-12)7-8-17-14(19)11-3-6-13(15(20)21)18-9-11/h1-6,9H,7-8H2,(H,17,19)(H,20,21).
What are the key properties of 5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid?
5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 349.18 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 154857316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).