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

C12H6BrClF2N2O2 — CID 90440357

IUPAC4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc(Br)cc2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C12H6BrClF2N2O2/c13-4-1-2-5(6(15)3-4)10-8(16)9(17)7(14)11(18-10)12(19)20/h1-3H,(H2,17,18)(H,19,20)
InChIKeySFFLENIONWPIDY-UHFFFAOYSA-N
MW363.55 g/mol
LogP3.72
Rot. Bonds2

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

4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid (PubChem CID 90440357) has the molecular formula C12H6BrClF2N2O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
PubChem CID90440357
Molecular FormulaC12H6BrClF2N2O2
Molecular Weight363.55 g/mol
Exact Mass361.93
IUPAC Name4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc(Br)cc2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C12H6BrClF2N2O2/c13-4-1-2-5(6(15)3-4)10-8(16)9(17)7(14)11(18-10)12(19)20/h1-3H,(H2,17,18)(H,19,20)
InChIKeySFFLENIONWPIDY-UHFFFAOYSA-N
XLogP3.72
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid (CID 90440357) is 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid is Nc1c(F)c(-c2ccc(Br)cc2F)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid?
The InChIKey is SFFLENIONWPIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF2N2O2/c13-4-1-2-5(6(15)3-4)10-8(16)9(17)7(14)11(18-10)12(19)20/h1-3H,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid?
4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid has a molecular weight of 363.55 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 90440357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).