4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid

C22H29Cl2FN2O2 — CID 67420298

IUPAC4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid
SMILESCCCCCCCCCCN1C(c2ccc(Cl)cc2)=C(F)C(N)=C(Cl)C1C(=O)O
InChIInChI=1S/C22H29Cl2FN2O2/c1-2-3-4-5-6-7-8-9-14-27-20(15-10-12-16(23)13-11-15)18(25)19(26)17(24)21(27)22(28)29/h10-13,21H,2-9,14,26H2,1H3,(H,28,29)
InChIKeyOGGFRULIUFPGSX-UHFFFAOYSA-N
MW443.39 g/mol
LogP6.30
Rot. Bonds11

About 4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid

4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid (PubChem CID 67420298) has the molecular formula C22H29Cl2FN2O2 and a molecular weight of 443.39 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid
PubChem CID67420298
Molecular FormulaC22H29Cl2FN2O2
Molecular Weight443.39 g/mol
Exact Mass442.16
IUPAC Name4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid
SMILESCCCCCCCCCCN1C(c2ccc(Cl)cc2)=C(F)C(N)=C(Cl)C1C(=O)O
InChIInChI=1S/C22H29Cl2FN2O2/c1-2-3-4-5-6-7-8-9-14-27-20(15-10-12-16(23)13-11-15)18(25)19(26)17(24)21(27)22(28)29/h10-13,21H,2-9,14,26H2,1H3,(H,28,29)
InChIKeyOGGFRULIUFPGSX-UHFFFAOYSA-N
XLogP6.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.39
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid (CID 67420298) is 4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid is CCCCCCCCCCN1C(c2ccc(Cl)cc2)=C(F)C(N)=C(Cl)C1C(=O)O.
What is the InChIKey of 4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid?
The InChIKey is OGGFRULIUFPGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2FN2O2/c1-2-3-4-5-6-7-8-9-14-27-20(15-10-12-16(23)13-11-15)18(25)19(26)17(24)21(27)22(28)29/h10-13,21H,2-9,14,26H2,1H3,(H,28,29).
What are the key properties of 4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid?
4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid has a molecular weight of 443.39 g/mol, XLogP of 6.30, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(4-chlorophenyl)-1-decyl-5-fluoro-2H-pyridine-2-carboxylic acid is sourced from PubChem (CID 67420298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).