6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid

C14H11BrN2O3 — CID 61414092

IUPAC6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCc2cccc(Br)c2)n1
InChIInChI=1S/C14H11BrN2O3/c15-10-4-1-3-9(7-10)8-16-13(18)11-5-2-6-12(17-11)14(19)20/h1-7H,8H2,(H,16,18)(H,19,20)
InChIKeySCCTVOZIOAMFPS-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.47
Rot. Bonds4

About 6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid

6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 61414092) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID61414092
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCc2cccc(Br)c2)n1
InChIInChI=1S/C14H11BrN2O3/c15-10-4-1-3-9(7-10)8-16-13(18)11-5-2-6-12(17-11)14(19)20/h1-7H,8H2,(H,16,18)(H,19,20)
InChIKeySCCTVOZIOAMFPS-UHFFFAOYSA-N
XLogP2.47
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 75513273
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61410075
N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 55651159
6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119181695
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3501172
N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide
CID 113436329
N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62178016

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 61414092) is 6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NCc2cccc(Br)c2)n1.
What is the InChIKey of 6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is SCCTVOZIOAMFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-10-4-1-3-9(7-10)8-16-13(18)11-5-2-6-12(17-11)14(19)20/h1-7H,8H2,(H,16,18)(H,19,20).
What are the key properties of 6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 335.16 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 61414092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).