2-chloro-3-fluoro-5-methoxypyridin-4-amine

C6H6ClFN2O — CID 141356822

IUPAC2-chloro-3-fluoro-5-methoxypyridin-4-amine
SMILESCOc1cnc(Cl)c(F)c1N
InChIInChI=1S/C6H6ClFN2O/c1-11-3-2-10-6(7)4(8)5(3)9/h2H,1H3,(H2,9,10)
InChIKeyYKLIZVJNZYFJTK-UHFFFAOYSA-N
MW176.58 g/mol
LogP1.46
Rot. Bonds1

About 2-chloro-3-fluoro-5-methoxypyridin-4-amine

2-chloro-3-fluoro-5-methoxypyridin-4-amine (PubChem CID 141356822) has the molecular formula C6H6ClFN2O and a molecular weight of 176.58 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-methoxypyridin-4-amine.

Molecular Properties

Compound Name2-chloro-3-fluoro-5-methoxypyridin-4-amine
PubChem CID141356822
Molecular FormulaC6H6ClFN2O
Molecular Weight176.58 g/mol
Exact Mass176.02
IUPAC Name2-chloro-3-fluoro-5-methoxypyridin-4-amine
SMILESCOc1cnc(Cl)c(F)c1N
InChIInChI=1S/C6H6ClFN2O/c1-11-3-2-10-6(7)4(8)5(3)9/h2H,1H3,(H2,9,10)
InChIKeyYKLIZVJNZYFJTK-UHFFFAOYSA-N
XLogP1.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.58
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5-methoxypyridin-4-amine?
The IUPAC name of 2-chloro-3-fluoro-5-methoxypyridin-4-amine (CID 141356822) is 2-chloro-3-fluoro-5-methoxypyridin-4-amine.
What is the SMILES notation for 2-chloro-3-fluoro-5-methoxypyridin-4-amine?
The canonical SMILES for 2-chloro-3-fluoro-5-methoxypyridin-4-amine is COc1cnc(Cl)c(F)c1N.
What is the InChIKey of 2-chloro-3-fluoro-5-methoxypyridin-4-amine?
The InChIKey is YKLIZVJNZYFJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O/c1-11-3-2-10-6(7)4(8)5(3)9/h2H,1H3,(H2,9,10).
What are the key properties of 2-chloro-3-fluoro-5-methoxypyridin-4-amine?
2-chloro-3-fluoro-5-methoxypyridin-4-amine has a molecular weight of 176.58 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5-methoxypyridin-4-amine is sourced from PubChem (CID 141356822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).