1-chloropentane;pyridazine

C9H15ClN2 — CID 174664804

IUPAC1-chloropentane;pyridazine
SMILESCCCCCCl.c1ccnnc1
InChIInChI=1S/C5H11Cl.C4H4N2/c1-2-3-4-5-6;1-2-4-6-5-3-1/h2-5H2,1H3;1-4H
InChIKeyFJBSIMVCOZBLEV-UHFFFAOYSA-N
MW186.69 g/mol
LogP2.89
Rot. Bonds3

About 1-chloropentane;pyridazine

1-chloropentane;pyridazine (PubChem CID 174664804) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is 1-chloropentane;pyridazine.

Molecular Properties

Compound Name1-chloropentane;pyridazine
PubChem CID174664804
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name1-chloropentane;pyridazine
SMILESCCCCCCl.c1ccnnc1
InChIInChI=1S/C5H11Cl.C4H4N2/c1-2-3-4-5-6;1-2-4-6-5-3-1/h2-5H2,1H3;1-4H
InChIKeyFJBSIMVCOZBLEV-UHFFFAOYSA-N
XLogP2.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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1-chloropentane;octacosane
CID 174937871
1-chloropentane;ethane
CID 175284520
1-chloropentane;pentadecane
CID 174295582
1-chlorotetradecane;2-ethylpyridine
CID 160860410
CID 87162953
CID 87162953
1-chloropentane;zirconium;octahydrate
CID 175544911
alumane;1-chloropentane;hydrate
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Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;pyridazine?
The IUPAC name of 1-chloropentane;pyridazine (CID 174664804) is 1-chloropentane;pyridazine.
What is the SMILES notation for 1-chloropentane;pyridazine?
The canonical SMILES for 1-chloropentane;pyridazine is CCCCCCl.c1ccnnc1.
What is the InChIKey of 1-chloropentane;pyridazine?
The InChIKey is FJBSIMVCOZBLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.C4H4N2/c1-2-3-4-5-6;1-2-4-6-5-3-1/h2-5H2,1H3;1-4H.
What are the key properties of 1-chloropentane;pyridazine?
1-chloropentane;pyridazine has a molecular weight of 186.69 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;pyridazine is sourced from PubChem (CID 174664804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).