6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine

C13H15ClN4 — CID 79826434

IUPAC6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine
SMILESNc1ccc(NCCc2ccc(Cl)cc2)nc1N
InChIInChI=1S/C13H15ClN4/c14-10-3-1-9(2-4-10)7-8-17-12-6-5-11(15)13(16)18-12/h1-6H,7-8,15H2,(H3,16,17,18)
InChIKeySQFHUEAESQTYEF-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.55
Rot. Bonds4

About 6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine

6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine (PubChem CID 79826434) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine
PubChem CID79826434
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine
SMILESNc1ccc(NCCc2ccc(Cl)cc2)nc1N
InChIInChI=1S/C13H15ClN4/c14-10-3-1-9(2-4-10)7-8-17-12-6-5-11(15)13(16)18-12/h1-6H,7-8,15H2,(H3,16,17,18)
InChIKeySQFHUEAESQTYEF-UHFFFAOYSA-N
XLogP2.55
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine
CID 55214934
6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
CID 80680913
4-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)pyrimidine-2,4-diamine
CID 90189428
4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine
CID 61380702
6-N-ethylpyridine-2,3,6-triamine
CID 79822372
6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine
CID 79823347
5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine
CID 61380799
N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80899019
N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475522
6-N-[2-(diethylamino)ethyl]pyridine-2,3,6-triamine
CID 79822537
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 116795747

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine (CID 79826434) is 6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine is Nc1ccc(NCCc2ccc(Cl)cc2)nc1N.
What is the InChIKey of 6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine?
The InChIKey is SQFHUEAESQTYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c14-10-3-1-9(2-4-10)7-8-17-12-6-5-11(15)13(16)18-12/h1-6H,7-8,15H2,(H3,16,17,18).
What are the key properties of 6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine?
6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine has a molecular weight of 262.74 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 79826434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).