3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine

C14H17ClN4 — CID 105195089

IUPAC3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(Cc2cccc(Cl)c2)NN)c1
InChIInChI=1S/C14H17ClN4/c1-9-5-12(14(16)18-8-9)13(19-17)7-10-3-2-4-11(15)6-10/h2-6,8,13,19H,7,17H2,1H3,(H2,16,18)
InChIKeyOPNDWQLGTWOVBZ-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.37
Rot. Bonds4

About 3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine

3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine (PubChem CID 105195089) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine
PubChem CID105195089
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(Cc2cccc(Cl)c2)NN)c1
InChIInChI=1S/C14H17ClN4/c1-9-5-12(14(16)18-8-9)13(19-17)7-10-3-2-4-11(15)6-10/h2-6,8,13,19H,7,17H2,1H3,(H2,16,18)
InChIKeyOPNDWQLGTWOVBZ-UHFFFAOYSA-N
XLogP2.37
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine (CID 105195089) is 3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine is Cc1cnc(N)c(C(Cc2cccc(Cl)c2)NN)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine?
The InChIKey is OPNDWQLGTWOVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9-5-12(14(16)18-8-9)13(19-17)7-10-3-2-4-11(15)6-10/h2-6,8,13,19H,7,17H2,1H3,(H2,16,18).
What are the key properties of 3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine?
3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine has a molecular weight of 276.77 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 105195089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).