4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid

C11H6Cl2FN3O2 — CID 22677345

IUPAC4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc(Cl)nc2)nc(C(=O)O)c1Cl
InChIInChI=1S/C11H6Cl2FN3O2/c12-5-2-1-4(3-16-5)9-7(14)8(15)6(13)10(17-9)11(18)19/h1-3H,(H2,15,17)(H,18,19)
InChIKeyQSWCXTGEYWBHEB-UHFFFAOYSA-N
MW302.09 g/mol
LogP2.87
Rot. Bonds2

About 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid

4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 22677345) has the molecular formula C11H6Cl2FN3O2 and a molecular weight of 302.09 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid
PubChem CID22677345
Molecular FormulaC11H6Cl2FN3O2
Molecular Weight302.09 g/mol
Exact Mass300.98
IUPAC Name4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc(Cl)nc2)nc(C(=O)O)c1Cl
InChIInChI=1S/C11H6Cl2FN3O2/c12-5-2-1-4(3-16-5)9-7(14)8(15)6(13)10(17-9)11(18)19/h1-3H,(H2,15,17)(H,18,19)
InChIKeyQSWCXTGEYWBHEB-UHFFFAOYSA-N
XLogP2.87
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid (CID 22677345) is 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid is Nc1c(F)c(-c2ccc(Cl)nc2)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is QSWCXTGEYWBHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN3O2/c12-5-2-1-4(3-16-5)9-7(14)8(15)6(13)10(17-9)11(18)19/h1-3H,(H2,15,17)(H,18,19).
What are the key properties of 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid?
4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 302.09 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 22677345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).