6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine

C13H13ClFN3 — CID 104923773

IUPAC6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NCCc2cccc(F)c2)c1
InChIInChI=1S/C13H13ClFN3/c14-12-7-11(16)8-13(18-12)17-5-4-9-2-1-3-10(15)6-9/h1-3,6-8H,4-5H2,(H3,16,17,18)
InChIKeyGWKIGPRFPVMMPM-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.11
Rot. Bonds4

About 6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine

6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine (PubChem CID 104923773) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine
PubChem CID104923773
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NCCc2cccc(F)c2)c1
InChIInChI=1S/C13H13ClFN3/c14-12-7-11(16)8-13(18-12)17-5-4-9-2-1-3-10(15)6-9/h1-3,6-8H,4-5H2,(H3,16,17,18)
InChIKeyGWKIGPRFPVMMPM-UHFFFAOYSA-N
XLogP3.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.11
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

4-N-[2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564151
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine
CID 102756174
2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80788066
3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine
CID 112647165
3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine
CID 43566180
N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 43400460
N-[2-(3-fluorophenyl)ethyl]quinolin-2-amine
CID 43400469
4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 137015420
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102756176
6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine
CID 103081629
5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80788298
6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine
CID 104924795

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine (CID 104923773) is 6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine is Nc1cc(Cl)nc(NCCc2cccc(F)c2)c1.
What is the InChIKey of 6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine?
The InChIKey is GWKIGPRFPVMMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c14-12-7-11(16)8-13(18-12)17-5-4-9-2-1-3-10(15)6-9/h1-3,6-8H,4-5H2,(H3,16,17,18).
What are the key properties of 6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine?
6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine has a molecular weight of 265.72 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine is sourced from PubChem (CID 104923773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).