6-chloro-3-fluoro-N-methylpyridin-2-amine

C6H6ClFN2 — CID 53401507

IUPAC6-chloro-3-fluoro-N-methylpyridin-2-amine
SMILESCNc1nc(Cl)ccc1F
InChIInChI=1S/C6H6ClFN2/c1-9-6-4(8)2-3-5(7)10-6/h2-3H,1H3,(H,9,10)
InChIKeyBYRNCWVQNHDGDL-UHFFFAOYSA-N
MW160.58 g/mol
LogP1.92
Rot. Bonds1

About 6-chloro-3-fluoro-N-methylpyridin-2-amine

6-chloro-3-fluoro-N-methylpyridin-2-amine (PubChem CID 53401507) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is 6-chloro-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-fluoro-N-methylpyridin-2-amine
PubChem CID53401507
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name6-chloro-3-fluoro-N-methylpyridin-2-amine
SMILESCNc1nc(Cl)ccc1F
InChIInChI=1S/C6H6ClFN2/c1-9-6-4(8)2-3-5(7)10-6/h2-3H,1H3,(H,9,10)
InChIKeyBYRNCWVQNHDGDL-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 6-chloro-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of 6-chloro-3-fluoro-N-methylpyridin-2-amine (CID 53401507) is 6-chloro-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for 6-chloro-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for 6-chloro-3-fluoro-N-methylpyridin-2-amine is CNc1nc(Cl)ccc1F.
What is the InChIKey of 6-chloro-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is BYRNCWVQNHDGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c1-9-6-4(8)2-3-5(7)10-6/h2-3H,1H3,(H,9,10).
What are the key properties of 6-chloro-3-fluoro-N-methylpyridin-2-amine?
6-chloro-3-fluoro-N-methylpyridin-2-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 6-chloro-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 53401507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).