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

C16H15BrN2O6 — CID 169405782

IUPAC2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCCOc1ccc(Br)cc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C16H15BrN2O6/c1-2-5-25-9-4-3-7(17)6-8(9)10-11(15(21)22)13(18)19-14(20)12(10)16(23)24/h3-4,6H,2,5H2,1H3,(H,21,22)(H,23,24)(H3,18,19,20)
InChIKeyFOFHUPYRJJGUAH-UHFFFAOYSA-N
MW411.21 g/mol
LogP2.57
Rot. Bonds6

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

2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405782) has the molecular formula C16H15BrN2O6 and a molecular weight of 411.21 g/mol. Its IUPAC name is 2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405782
Molecular FormulaC16H15BrN2O6
Molecular Weight411.21 g/mol
Exact Mass410.01
IUPAC Name2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCCOc1ccc(Br)cc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C16H15BrN2O6/c1-2-5-25-9-4-3-7(17)6-8(9)10-11(15(21)22)13(18)19-14(20)12(10)16(23)24/h3-4,6H,2,5H2,1H3,(H,21,22)(H,23,24)(H3,18,19,20)
InChIKeyFOFHUPYRJJGUAH-UHFFFAOYSA-N
XLogP2.57
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.21
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(5-bromo-2-hexoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405517
2-amino-4-[5-bromo-2-(cyanomethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405776
2-amino-4-(2-bromo-4-butoxy-5-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407046
2-amino-4-[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406723
2-amino-4-(2-bromo-4-butoxy-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407038
2-amino-4-[5-chloro-2-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406364
2-amino-4-(3-methoxy-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405460
2-amino-4-(4-bromo-2-propan-2-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406184
2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407064
2-amino-6-oxo-4-[4-propoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169406143
2-amino-4-[2-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406692
2-amino-4-(2-bromo-5-ethoxy-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405383

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405782) is 2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is CCCOc1ccc(Br)cc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is FOFHUPYRJJGUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O6/c1-2-5-25-9-4-3-7(17)6-8(9)10-11(15(21)22)13(18)19-14(20)12(10)16(23)24/h3-4,6H,2,5H2,1H3,(H,21,22)(H,23,24)(H3,18,19,20).
What are the key properties of 2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 411.21 g/mol, XLogP of 2.57, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).