2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C16H15BrN2O5 — CID 169406184

IUPAC2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCC(C)c1cc(Br)ccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C16H15BrN2O5/c1-6(2)9-5-7(17)3-4-8(9)10-11(15(21)22)13(18)19-14(20)12(10)16(23)24/h3-6H,1-2H3,(H,21,22)(H,23,24)(H3,18,19,20)
InChIKeyWKZKDVWWFUSCOL-UHFFFAOYSA-N
MW395.21 g/mol
LogP2.91
Rot. Bonds4

About 2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169406184) has the molecular formula C16H15BrN2O5 and a molecular weight of 395.21 g/mol. Its IUPAC name is 2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169406184
Molecular FormulaC16H15BrN2O5
Molecular Weight395.21 g/mol
Exact Mass394.02
IUPAC Name2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCC(C)c1cc(Br)ccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C16H15BrN2O5/c1-6(2)9-5-7(17)3-4-8(9)10-11(15(21)22)13(18)19-14(20)12(10)16(23)24/h3-6H,1-2H3,(H,21,22)(H,23,24)(H3,18,19,20)
InChIKeyWKZKDVWWFUSCOL-UHFFFAOYSA-N
XLogP2.91
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-bromo-2-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405168
2-amino-4-(4-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404956
2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405782
2-amino-4-[5-bromo-2-(cyanomethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405776
2-amino-4-(5-bromo-2-hexoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405517
2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405049
2-amino-4-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405149
2-amino-4-(3-bromo-4-propan-2-yloxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406467
2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405053
2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407448
2-amino-4-(2,4-dichloro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406073
2-amino-4-[5-bromo-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406212

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169406184) is 2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is CC(C)c1cc(Br)ccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is WKZKDVWWFUSCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O5/c1-6(2)9-5-7(17)3-4-8(9)10-11(15(21)22)13(18)19-14(20)12(10)16(23)24/h3-6H,1-2H3,(H,21,22)(H,23,24)(H3,18,19,20).
What are the key properties of 2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 395.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169406184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).