3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine

C13H12Cl2FN3 — CID 102756174

IUPAC3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine
SMILESNc1nc(NCCc2cccc(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2FN3/c14-10-7-11(15)13(19-12(10)17)18-5-4-8-2-1-3-9(16)6-8/h1-3,6-7H,4-5H2,(H3,17,18,19)
InChIKeyPFCGHNHJRTVEHR-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.76
Rot. Bonds4

About 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine

3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine (PubChem CID 102756174) has the molecular formula C13H12Cl2FN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine
PubChem CID102756174
Molecular FormulaC13H12Cl2FN3
Molecular Weight300.16 g/mol
Exact Mass299.04
IUPAC Name3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine
SMILESNc1nc(NCCc2cccc(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2FN3/c14-10-7-11(15)13(19-12(10)17)18-5-4-8-2-1-3-9(16)6-8/h1-3,6-7H,4-5H2,(H3,17,18,19)
InChIKeyPFCGHNHJRTVEHR-UHFFFAOYSA-N
XLogP3.76
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 102755761
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102756176
5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 103582390
3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine
CID 43566180
6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine
CID 104923773
5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80788298
3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756384
3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078066
2-chloro-N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697506
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
4-N-[2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564151
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine (CID 102756174) is 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine is Nc1nc(NCCc2cccc(F)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine?
The InChIKey is PFCGHNHJRTVEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FN3/c14-10-7-11(15)13(19-12(10)17)18-5-4-8-2-1-3-9(16)6-8/h1-3,6-7H,4-5H2,(H3,17,18,19).
What are the key properties of 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine?
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine has a molecular weight of 300.16 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 102756174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).