[1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine

C16H18ClN3O — CID 105253220

IUPAC[1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
SMILESNNC(CC1CCOc2ccccc21)c1ccc(Cl)nc1
InChIInChI=1S/C16H18ClN3O/c17-16-6-5-12(10-19-16)14(20-18)9-11-7-8-21-15-4-2-1-3-13(11)15/h1-6,10-11,14,20H,7-9,18H2
InChIKeyYOTASXZMPPXNLW-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.20
Rot. Bonds4

About [1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine

[1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine (PubChem CID 105253220) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is [1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
PubChem CID105253220
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name[1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
SMILESNNC(CC1CCOc2ccccc21)c1ccc(Cl)nc1
InChIInChI=1S/C16H18ClN3O/c17-16-6-5-12(10-19-16)14(20-18)9-11-7-8-21-15-4-2-1-3-13(11)15/h1-6,10-11,14,20H,7-9,18H2
InChIKeyYOTASXZMPPXNLW-UHFFFAOYSA-N
XLogP3.20
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 104770056
[1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105198169
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105333606
[1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine
CID 105252962
[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 103408767
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105333585
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine
CID 104770146
[1-(4-bromothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105222674
[3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265294
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104770575
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine
CID 105333561
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine (CID 105253220) is [1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine is NNC(CC1CCOc2ccccc21)c1ccc(Cl)nc1.
What is the InChIKey of [1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine?
The InChIKey is YOTASXZMPPXNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-16-6-5-12(10-19-16)14(20-18)9-11-7-8-21-15-4-2-1-3-13(11)15/h1-6,10-11,14,20H,7-9,18H2.
What are the key properties of [1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine?
[1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine has a molecular weight of 303.79 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105253220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).