2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C14H9Cl2FN2O6 — CID 169407431

IUPAC2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCOc1c(Cl)cc(Cl)c(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1F
InChIInChI=1S/C14H9Cl2FN2O6/c1-25-10-4(16)2-3(15)5(9(10)17)6-7(13(21)22)11(18)19-12(20)8(6)14(23)24/h2H,1H3,(H,21,22)(H,23,24)(H3,18,19,20)
InChIKeyYWOZVOWXIOKYCR-UHFFFAOYSA-N
MW391.14 g/mol
LogP2.47
Rot. Bonds4

About 2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407431) has the molecular formula C14H9Cl2FN2O6 and a molecular weight of 391.14 g/mol. Its IUPAC name is 2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169407431
Molecular FormulaC14H9Cl2FN2O6
Molecular Weight391.14 g/mol
Exact Mass389.98
IUPAC Name2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCOc1c(Cl)cc(Cl)c(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1F
InChIInChI=1S/C14H9Cl2FN2O6/c1-25-10-4(16)2-3(15)5(9(10)17)6-7(13(21)22)11(18)19-12(20)8(6)14(23)24/h2H,1H3,(H,21,22)(H,23,24)(H3,18,19,20)
InChIKeyYWOZVOWXIOKYCR-UHFFFAOYSA-N
XLogP2.47
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.14
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-chloro-2,3,6-trifluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407583
2-amino-4-(2-chloro-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405368
2-amino-4-(2,4-difluoro-6-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406921
2-amino-4-(3-bromo-5-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407439
2-amino-4-(5-chloro-2-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406915
2-amino-4-(2,4-dichloro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406073
2-amino-4-(2-methoxy-3,5-dimethylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406417
2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407433
2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407946
2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405429
2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405280
2-amino-4-(2-bromo-3-chloro-4-hydroxy-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406484

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169407431) is 2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is COc1c(Cl)cc(Cl)c(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1F.
What is the InChIKey of 2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is YWOZVOWXIOKYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O6/c1-25-10-4(16)2-3(15)5(9(10)17)6-7(13(21)22)11(18)19-12(20)8(6)14(23)24/h2H,1H3,(H,21,22)(H,23,24)(H3,18,19,20).
What are the key properties of 2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 391.14 g/mol, XLogP of 2.47, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).