[1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine

C12H18ClN3O — CID 105253010

IUPAC[1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESNNC(CCC1CCCO1)c1ccc(Cl)nc1
InChIInChI=1S/C12H18ClN3O/c13-12-6-3-9(8-15-12)11(16-14)5-4-10-2-1-7-17-10/h3,6,8,10-11,16H,1-2,4-5,7,14H2
InChIKeyMNCOGQUCDRPSHH-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.20
Rot. Bonds5

About [1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine

[1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine (PubChem CID 105253010) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is [1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine
PubChem CID105253010
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name[1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESNNC(CCC1CCCO1)c1ccc(Cl)nc1
InChIInChI=1S/C12H18ClN3O/c13-12-6-3-9(8-15-12)11(16-14)5-4-10-2-1-7-17-10/h3,6,8,10-11,16H,1-2,4-5,7,14H2
InChIKeyMNCOGQUCDRPSHH-UHFFFAOYSA-N
XLogP2.20
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.20
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

[3-(oxolan-2-yl)-1-pyrimidin-5-ylpropyl]hydrazine
CID 105292141
[1-(4-cyclobutylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105338158
[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314231
[1-(2,5-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105302010
[3-(oxolan-2-yl)-1-(4-propylphenyl)propyl]hydrazine
CID 105303812
[1-(6-chloro-3-pyridinyl)-2-cyclopentylethyl]hydrazine
CID 105252962
[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314404
[1-(3,5-dibromo-2-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105268360
[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314342
[1-(3-chloro-4-pyridinyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314132
3-[1-hydrazinyl-3-(oxolan-2-yl)propyl]-N,N-dimethylaniline
CID 105314247
[4-(oxolan-2-yl)-1-quinoxalin-6-ylbutyl]hydrazine
CID 105221924

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine?
The IUPAC name of [1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine (CID 105253010) is [1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine is NNC(CCC1CCCO1)c1ccc(Cl)nc1.
What is the InChIKey of [1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine?
The InChIKey is MNCOGQUCDRPSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-12-6-3-9(8-15-12)11(16-14)5-4-10-2-1-7-17-10/h3,6,8,10-11,16H,1-2,4-5,7,14H2.
What are the key properties of [1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine?
[1-(6-chloro-3-pyridinyl)-3-(oxolan-2-yl)propyl]hydrazine has a molecular weight of 255.75 g/mol, XLogP of 2.20, 5 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)-3-(oxolan-2-yl)propyl]hydrazine is sourced from PubChem (CID 105253010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).