6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine

C13H13ClFN3 — CID 115473918

IUPAC6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine
SMILESCC(Nc1nc(Cl)ccc1N)c1ccccc1F
InChIInChI=1S/C13H13ClFN3/c1-8(9-4-2-3-5-10(9)15)17-13-11(16)6-7-12(14)18-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeySISQFOFZYJIJLG-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.63
Rot. Bonds3

About 6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine

6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine (PubChem CID 115473918) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine
PubChem CID115473918
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine
SMILESCC(Nc1nc(Cl)ccc1N)c1ccccc1F
InChIInChI=1S/C13H13ClFN3/c1-8(9-4-2-3-5-10(9)15)17-13-11(16)6-7-12(14)18-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeySISQFOFZYJIJLG-UHFFFAOYSA-N
XLogP3.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801581
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63586892
4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine
CID 62142318
6-methyl-2-N-[1-(2-methylphenyl)ethyl]pyridine-2,3-diamine
CID 81132205
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 55080459
5-bromo-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 114072083
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582
4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54964707
6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 114286323
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine (CID 115473918) is 6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine is CC(Nc1nc(Cl)ccc1N)c1ccccc1F.
What is the InChIKey of 6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine?
The InChIKey is SISQFOFZYJIJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-8(9-4-2-3-5-10(9)15)17-13-11(16)6-7-12(14)18-13/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine?
6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine has a molecular weight of 265.72 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 115473918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).