4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine

C19H24Cl2FN3O3 — CID 66766863

IUPAC4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.COc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F
InChIInChI=1S/C13H9Cl2FN2O3.C6H15N/c1-21-12-6(14)3-2-5(10(12)16)8-4-7(17)9(15)11(18-8)13(19)20;1-4-7(5-2)6-3/h2-4H,1H3,(H2,17,18)(H,19,20);4-6H2,1-3H3
InChIKeyLWPWUDIQECHBND-UHFFFAOYSA-N
MW432.32 g/mol
LogP4.83
Rot. Bonds6

About 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine

4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine (PubChem CID 66766863) has the molecular formula C19H24Cl2FN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine.

Molecular Properties

Compound Name4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine
PubChem CID66766863
Molecular FormulaC19H24Cl2FN3O3
Molecular Weight432.32 g/mol
Exact Mass431.12
IUPAC Name4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.COc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F
InChIInChI=1S/C13H9Cl2FN2O3.C6H15N/c1-21-12-6(14)3-2-5(10(12)16)8-4-7(17)9(15)11(18-8)13(19)20;1-4-7(5-2)6-3/h2-4H,1H3,(H2,17,18)(H,19,20);4-6H2,1-3H3
InChIKeyLWPWUDIQECHBND-UHFFFAOYSA-N
XLogP4.83
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine?
The IUPAC name of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine (CID 66766863) is 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine.
What is the SMILES notation for 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine?
The canonical SMILES for 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine is CCN(CC)CC.COc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F.
What is the InChIKey of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine?
The InChIKey is LWPWUDIQECHBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O3.C6H15N/c1-21-12-6(14)3-2-5(10(12)16)8-4-7(17)9(15)11(18-8)13(19)20;1-4-7(5-2)6-3/h2-4H,1H3,(H2,17,18)(H,19,20);4-6H2,1-3H3.
What are the key properties of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine?
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine has a molecular weight of 432.32 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine is sourced from PubChem (CID 66766863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).