6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine

C10H14ClN3S — CID 104924087

IUPAC6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine
SMILESC=CCSCCNc1cc(N)cc(Cl)n1
InChIInChI=1S/C10H14ClN3S/c1-2-4-15-5-3-13-10-7-8(12)6-9(11)14-10/h2,6-7H,1,3-5H2,(H3,12,13,14)
InChIKeyYOKNZCJSHKRSFT-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.65
Rot. Bonds6

About 6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine

6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine (PubChem CID 104924087) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine
PubChem CID104924087
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine
SMILESC=CCSCCNc1cc(N)cc(Cl)n1
InChIInChI=1S/C10H14ClN3S/c1-2-4-15-5-3-13-10-7-8(12)6-9(11)14-10/h2,6-7H,1,3-5H2,(H3,12,13,14)
InChIKeyYOKNZCJSHKRSFT-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine (CID 104924087) is 6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine is C=CCSCCNc1cc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine?
The InChIKey is YOKNZCJSHKRSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-2-4-15-5-3-13-10-7-8(12)6-9(11)14-10/h2,6-7H,1,3-5H2,(H3,12,13,14).
What are the key properties of 6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine?
6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine has a molecular weight of 243.76 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine is sourced from PubChem (CID 104924087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).