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

C10H14ClFN2 — CID 90135424

IUPAC6-chloro-3-fluoro-N-pentylpyridin-2-amine
SMILESCCCCCNc1nc(Cl)ccc1F
InChIInChI=1S/C10H14ClFN2/c1-2-3-4-7-13-10-8(12)5-6-9(11)14-10/h5-6H,2-4,7H2,1H3,(H,13,14)
InChIKeyGYSAWDFEDBJXDJ-UHFFFAOYSA-N
MW216.69 g/mol
LogP3.48
Rot. Bonds5

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

6-chloro-3-fluoro-N-pentylpyridin-2-amine (PubChem CID 90135424) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 6-chloro-3-fluoro-N-pentylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-fluoro-N-pentylpyridin-2-amine
PubChem CID90135424
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name6-chloro-3-fluoro-N-pentylpyridin-2-amine
SMILESCCCCCNc1nc(Cl)ccc1F
InChIInChI=1S/C10H14ClFN2/c1-2-3-4-7-13-10-8(12)5-6-9(11)14-10/h5-6H,2-4,7H2,1H3,(H,13,14)
InChIKeyGYSAWDFEDBJXDJ-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-fluoro-N-pentylpyridin-2-amine?
The IUPAC name of 6-chloro-3-fluoro-N-pentylpyridin-2-amine (CID 90135424) is 6-chloro-3-fluoro-N-pentylpyridin-2-amine.
What is the SMILES notation for 6-chloro-3-fluoro-N-pentylpyridin-2-amine?
The canonical SMILES for 6-chloro-3-fluoro-N-pentylpyridin-2-amine is CCCCCNc1nc(Cl)ccc1F.
What is the InChIKey of 6-chloro-3-fluoro-N-pentylpyridin-2-amine?
The InChIKey is GYSAWDFEDBJXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-2-3-4-7-13-10-8(12)5-6-9(11)14-10/h5-6H,2-4,7H2,1H3,(H,13,14).
What are the key properties of 6-chloro-3-fluoro-N-pentylpyridin-2-amine?
6-chloro-3-fluoro-N-pentylpyridin-2-amine has a molecular weight of 216.69 g/mol, XLogP of 3.48, 5 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-pentylpyridin-2-amine is sourced from PubChem (CID 90135424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).