2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid

C14H11BrN2O3 — CID 84610177

IUPAC2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid
SMILESO=C(Cc1ccccc1Br)Nc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H11BrN2O3/c15-11-4-2-1-3-9(11)8-13(18)17-12-7-10(14(19)20)5-6-16-12/h1-7H,8H2,(H,19,20)(H,16,17,18)
InChIKeyDPCVCDQGEFSHSP-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.72
Rot. Bonds4

About 2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid

2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid (PubChem CID 84610177) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid
PubChem CID84610177
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid
SMILESO=C(Cc1ccccc1Br)Nc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H11BrN2O3/c15-11-4-2-1-3-9(11)8-13(18)17-12-7-10(14(19)20)5-6-16-12/h1-7H,8H2,(H,19,20)(H,16,17,18)
InChIKeyDPCVCDQGEFSHSP-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 112723330
2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid
CID 114368080
2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113042022
2-(2-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 102584550
2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 81470848
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
CID 107853535
2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide
CID 113044304
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide
CID 113026424
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid
CID 113378568
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid (CID 84610177) is 2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid is O=C(Cc1ccccc1Br)Nc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid?
The InChIKey is DPCVCDQGEFSHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-11-4-2-1-3-9(11)8-13(18)17-12-7-10(14(19)20)5-6-16-12/h1-7H,8H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid?
2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid has a molecular weight of 335.16 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 84610177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).