5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine

C14H17ClN4 — CID 105208981

IUPAC5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine
SMILESCc1cccc(CC(NN)c2cc(Cl)cnc2N)c1
InChIInChI=1S/C14H17ClN4/c1-9-3-2-4-10(5-9)6-13(19-17)12-7-11(15)8-18-14(12)16/h2-5,7-8,13,19H,6,17H2,1H3,(H2,16,18)
InChIKeyAFSWGLCNEFTMLS-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.37
Rot. Bonds4

About 5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine

5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine (PubChem CID 105208981) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine
PubChem CID105208981
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine
SMILESCc1cccc(CC(NN)c2cc(Cl)cnc2N)c1
InChIInChI=1S/C14H17ClN4/c1-9-3-2-4-10(5-9)6-13(19-17)12-7-11(15)8-18-14(12)16/h2-5,7-8,13,19H,6,17H2,1H3,(H2,16,18)
InChIKeyAFSWGLCNEFTMLS-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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Related Compounds

5-chloro-3-[2-(3-fluorophenyl)-1-hydrazinylethyl]pyridin-2-amine
CID 105204807
3-[2-(3-chlorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine
CID 105195089
5-chloro-3-(1-hydrazinyl-2-pyridin-3-ylethyl)pyridin-2-amine
CID 105212191
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79780808
3-[2-(3-chlorophenyl)-1-hydrazinylethyl]pyridin-2-amine
CID 105194946
5-chloro-3-(1-hydrazinyl-3-methoxypropyl)pyridin-2-amine
CID 105206436
[2-(3-chlorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261694
[2-(3-chlorophenyl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105194932
[1-(2,5-difluorophenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105208925
5-chloro-3-(1-hydrazinylpentyl)pyridin-2-amine
CID 105245743
[1-(2-bromo-4-methylphenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285025
[1-(2-methylfuran-3-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105269004

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine (CID 105208981) is 5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine is Cc1cccc(CC(NN)c2cc(Cl)cnc2N)c1.
What is the InChIKey of 5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine?
The InChIKey is AFSWGLCNEFTMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9-3-2-4-10(5-9)6-13(19-17)12-7-11(15)8-18-14(12)16/h2-5,7-8,13,19H,6,17H2,1H3,(H2,16,18).
What are the key properties of 5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine?
5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-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 5-chloro-3-[1-hydrazinyl-2-(3-methylphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 105208981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).