4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid

C14H10ClF3N2O4 — CID 71175287

IUPAC4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid
SMILESCOc1c(Cl)ccc(-c2cc(N)c(OC(F)F)c(C(=O)O)n2)c1F
InChIInChI=1S/C14H10ClF3N2O4/c1-23-11-6(15)3-2-5(9(11)16)8-4-7(19)12(24-14(17)18)10(20-8)13(21)22/h2-4,14H,1H3,(H2,19,20)(H,21,22)
InChIKeyRBWUQPUZBDXVEE-UHFFFAOYSA-N
MW362.69 g/mol
LogP3.43
Rot. Bonds5

About 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid

4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 71175287) has the molecular formula C14H10ClF3N2O4 and a molecular weight of 362.69 g/mol. Its IUPAC name is 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid
PubChem CID71175287
Molecular FormulaC14H10ClF3N2O4
Molecular Weight362.69 g/mol
Exact Mass362.03
IUPAC Name4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid
SMILESCOc1c(Cl)ccc(-c2cc(N)c(OC(F)F)c(C(=O)O)n2)c1F
InChIInChI=1S/C14H10ClF3N2O4/c1-23-11-6(15)3-2-5(9(11)16)8-4-7(19)12(24-14(17)18)10(20-8)13(21)22/h2-4,14H,1H3,(H2,19,20)(H,21,22)
InChIKeyRBWUQPUZBDXVEE-UHFFFAOYSA-N
XLogP3.43
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.69
LogP ≤ 53.43
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)-3-(difluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid (CID 71175287) is 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid is COc1c(Cl)ccc(-c2cc(N)c(OC(F)F)c(C(=O)O)n2)c1F.
What is the InChIKey of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is RBWUQPUZBDXVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O4/c1-23-11-6(15)3-2-5(9(11)16)8-4-7(19)12(24-14(17)18)10(20-8)13(21)22/h2-4,14H,1H3,(H2,19,20)(H,21,22).
What are the key properties of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid?
4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-(difluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 362.69 g/mol, XLogP of 3.43, 5 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)-3-(difluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 71175287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).