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

C14H10BrFN2O6 — CID 169405429

IUPAC2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCOc1ccc(F)c(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1Br
InChIInChI=1S/C14H10BrFN2O6/c1-24-5-3-2-4(16)6(10(5)15)7-8(13(20)21)11(17)18-12(19)9(7)14(22)23/h2-3H,1H3,(H,20,21)(H,22,23)(H3,17,18,19)
InChIKeyWKMSCBCVTRTTBB-UHFFFAOYSA-N
MW401.14 g/mol
LogP1.93
Rot. Bonds4

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

2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405429) has the molecular formula C14H10BrFN2O6 and a molecular weight of 401.14 g/mol. Its IUPAC name is 2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405429
Molecular FormulaC14H10BrFN2O6
Molecular Weight401.14 g/mol
Exact Mass399.97
IUPAC Name2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCOc1ccc(F)c(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1Br
InChIInChI=1S/C14H10BrFN2O6/c1-24-5-3-2-4(16)6(10(5)15)7-8(13(20)21)11(17)18-12(19)9(7)14(22)23/h2-3H,1H3,(H,20,21)(H,22,23)(H3,17,18,19)
InChIKeyWKMSCBCVTRTTBB-UHFFFAOYSA-N
XLogP1.93
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.14
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407448
2-amino-4-(3-bromo-5-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407439
2-amino-4-(2-bromo-3-chloro-4-hydroxy-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406484
2-amino-4-(2,3-dimethoxy-6-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405937
2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406741
2-amino-4-(2-bromo-5,6-dimethoxy-3-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405936
2-amino-4-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407191
2-amino-4-[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405849
2-amino-4-(4-iodo-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407868
2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407431

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405429) is 2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is COc1ccc(F)c(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1Br.
What is the InChIKey of 2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is WKMSCBCVTRTTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O6/c1-24-5-3-2-4(16)6(10(5)15)7-8(13(20)21)11(17)18-12(19)9(7)14(22)23/h2-3H,1H3,(H,20,21)(H,22,23)(H3,17,18,19).
What are the key properties of 2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 401.14 g/mol, XLogP of 1.93, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).