2-chloro-5-fluoro-N-methylpyridin-4-amine

C6H6ClFN2 — CID 118992251

IUPAC2-chloro-5-fluoro-N-methylpyridin-4-amine
SMILESCNc1cc(Cl)ncc1F
InChIInChI=1S/C6H6ClFN2/c1-9-5-2-6(7)10-3-4(5)8/h2-3H,1H3,(H,9,10)
InChIKeyWXJRWEYDQJZRAI-UHFFFAOYSA-N
MW160.58 g/mol
LogP1.92
Rot. Bonds1

About 2-chloro-5-fluoro-N-methylpyridin-4-amine

2-chloro-5-fluoro-N-methylpyridin-4-amine (PubChem CID 118992251) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-methylpyridin-4-amine
PubChem CID118992251
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name2-chloro-5-fluoro-N-methylpyridin-4-amine
SMILESCNc1cc(Cl)ncc1F
InChIInChI=1S/C6H6ClFN2/c1-9-5-2-6(7)10-3-4(5)8/h2-3H,1H3,(H,9,10)
InChIKeyWXJRWEYDQJZRAI-UHFFFAOYSA-N
XLogP1.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-5-fluoro-N-methylpyridin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-methylpyridin-4-amine (CID 118992251) is 2-chloro-5-fluoro-N-methylpyridin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-methylpyridin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-methylpyridin-4-amine is CNc1cc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-methylpyridin-4-amine?
The InChIKey is WXJRWEYDQJZRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c1-9-5-2-6(7)10-3-4(5)8/h2-3H,1H3,(H,9,10).
What are the key properties of 2-chloro-5-fluoro-N-methylpyridin-4-amine?
2-chloro-5-fluoro-N-methylpyridin-4-amine has a molecular weight of 160.58 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-methylpyridin-4-amine is sourced from PubChem (CID 118992251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).