1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine

C14H16ClN3 — CID 86640695

IUPAC1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine
SMILESCc1ccc(N(N)CCc2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H16ClN3/c1-11-2-5-13(6-3-11)18(16)9-8-12-4-7-14(15)17-10-12/h2-7,10H,8-9,16H2,1H3
InChIKeySXHGCWVHDJBQPI-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.97
Rot. Bonds4

About 1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine

1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine (PubChem CID 86640695) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine.

Molecular Properties

Compound Name1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine
PubChem CID86640695
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine
SMILESCc1ccc(N(N)CCc2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H16ClN3/c1-11-2-5-13(6-3-11)18(16)9-8-12-4-7-14(15)17-10-12/h2-7,10H,8-9,16H2,1H3
InChIKeySXHGCWVHDJBQPI-UHFFFAOYSA-N
XLogP2.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
[4-[amino-[2-(4-methylphenyl)ethyl]amino]phenyl] acetate
CID 160649953
3-(6-chloro-3-pyridinyl)propan-1-amine
CID 55266359
6-chloro-N,N-dimethylpyridin-3-amine
CID 14116703
3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 111543545
N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine
CID 174856030
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
(6-chloro-3-pyridinyl)methyl-methylcyanamide
CID 119085201
2-chloro-5-(iodomethyl)pyridine
CID 11149463
2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine
CID 43245470
N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 50948120
5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine
CID 55046705

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine?
The IUPAC name of 1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine (CID 86640695) is 1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine.
What is the SMILES notation for 1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine?
The canonical SMILES for 1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine is Cc1ccc(N(N)CCc2ccc(Cl)nc2)cc1.
What is the InChIKey of 1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine?
The InChIKey is SXHGCWVHDJBQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-11-2-5-13(6-3-11)18(16)9-8-12-4-7-14(15)17-10-12/h2-7,10H,8-9,16H2,1H3.
What are the key properties of 1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine?
1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine has a molecular weight of 261.76 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloro-3-pyridinyl)ethyl]-1-(4-methylphenyl)hydrazine is sourced from PubChem (CID 86640695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).