2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid

C12H8BrClN2O2 — CID 114919117

IUPAC2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccc(Br)cc2)ncc1Cl
InChIInChI=1S/C12H8BrClN2O2/c13-7-1-3-8(4-2-7)16-11-5-9(12(17)18)10(14)6-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyDCGXKOHCIKIFTJ-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.94
Rot. Bonds3

About 2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid

2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid (PubChem CID 114919117) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is 2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid
PubChem CID114919117
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC Name2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Nc2ccc(Br)cc2)ncc1Cl
InChIInChI=1S/C12H8BrClN2O2/c13-7-1-3-8(4-2-7)16-11-5-9(12(17)18)10(14)6-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyDCGXKOHCIKIFTJ-UHFFFAOYSA-N
XLogP3.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919129
5-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-4-carboxylic acid
CID 114919156
5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 114919233
5-chloro-2-(2,3-dichloroanilino)pyridine-4-carboxylic acid
CID 114919169
4-[[6-(4-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192964
5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
CID 114919577
2-[1-(3-bromophenyl)ethylamino]-5-chloropyridine-4-carboxylic acid
CID 114919409
5-chloro-2-(2-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919175
6-(4-bromoanilino)-3-methoxypyridazine-4-carboxylic acid
CID 117102947
6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid
CID 107613303
1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea
CID 113019226
2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid
CID 60862551

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid (CID 114919117) is 2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid is O=C(O)c1cc(Nc2ccc(Br)cc2)ncc1Cl.
What is the InChIKey of 2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid?
The InChIKey is DCGXKOHCIKIFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-7-1-3-8(4-2-7)16-11-5-9(12(17)18)10(14)6-15-11/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid?
2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid has a molecular weight of 327.57 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 114919117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).