[(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine

C13H18ClN3 — CID 106649721

IUPAC[(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCC1)c1ncccc1Cl
InChIInChI=1S/C13H18ClN3/c14-11-8-5-9-16-13(11)12(17-15)10-6-3-1-2-4-7-10/h5-6,8-9,12,17H,1-4,7,15H2
InChIKeyRPIZRTMQFAXJET-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.13
Rot. Bonds3

About [(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine

[(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine (PubChem CID 106649721) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is [(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine
PubChem CID106649721
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name[(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCCC1)c1ncccc1Cl
InChIInChI=1S/C13H18ClN3/c14-11-8-5-9-16-13(11)12(17-15)10-6-3-1-2-4-7-10/h5-6,8-9,12,17H,1-4,7,15H2
InChIKeyRPIZRTMQFAXJET-UHFFFAOYSA-N
XLogP3.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-2-pyridinyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106654838
[(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 103445843
[(6-chloro-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649336
[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106648562
[(3-chlorothiophen-2-yl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106650182
[(5-chloro-2-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649316
N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 106652706
[(3-chloro-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine
CID 103445949
[cyclohepten-1-yl-(3-methylphenyl)methyl]hydrazine
CID 106648636
[(2-chlorofuran-3-yl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106694850
[[(1E)-cycloocten-1-yl]-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 106649430
[(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106650026

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine (CID 106649721) is [(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine is NNC(C1=CCCCCC1)c1ncccc1Cl.
What is the InChIKey of [(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine?
The InChIKey is RPIZRTMQFAXJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c14-11-8-5-9-16-13(11)12(17-15)10-6-3-1-2-4-7-10/h5-6,8-9,12,17H,1-4,7,15H2.
What are the key properties of [(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine?
[(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine has a molecular weight of 251.76 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-2-pyridinyl)-(cyclohepten-1-yl)methyl]hydrazine is sourced from PubChem (CID 106649721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).