4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid

C14H11ClF2N2O4 — CID 71150428

IUPAC4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(Cl)c(OC)c2F)c(F)c1N
InChIInChI=1S/C14H11ClF2N2O4/c1-22-12-6(15)4-3-5(7(12)16)10-8(17)9(18)13(23-2)11(19-10)14(20)21/h3-4H,1-2H3,(H2,18,19)(H,20,21)
InChIKeyBRXSCCJMBBJNSO-UHFFFAOYSA-N
MW344.70 g/mol
LogP2.98
Rot. Bonds4

About 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid

4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid (PubChem CID 71150428) has the molecular formula C14H11ClF2N2O4 and a molecular weight of 344.70 g/mol. Its IUPAC name is 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
PubChem CID71150428
Molecular FormulaC14H11ClF2N2O4
Molecular Weight344.70 g/mol
Exact Mass344.04
IUPAC Name4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)nc(-c2ccc(Cl)c(OC)c2F)c(F)c1N
InChIInChI=1S/C14H11ClF2N2O4/c1-22-12-6(15)4-3-5(7(12)16)10-8(17)9(18)13(23-2)11(19-10)14(20)21/h3-4H,1-2H3,(H2,18,19)(H,20,21)
InChIKeyBRXSCCJMBBJNSO-UHFFFAOYSA-N
XLogP2.98
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.70
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The IUPAC name of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid (CID 71150428) is 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid is COc1c(C(=O)O)nc(-c2ccc(Cl)c(OC)c2F)c(F)c1N.
What is the InChIKey of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
The InChIKey is BRXSCCJMBBJNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O4/c1-22-12-6(15)4-3-5(7(12)16)10-8(17)9(18)13(23-2)11(19-10)14(20)21/h3-4H,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid?
4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid has a molecular weight of 344.70 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 71150428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).