4-butyl-3-chloro-6-phenylpyridazine

C14H15ClN2 — CID 140576046

IUPAC4-butyl-3-chloro-6-phenylpyridazine
SMILESCCCCc1cc(-c2ccccc2)nnc1Cl
InChIInChI=1S/C14H15ClN2/c1-2-3-7-12-10-13(16-17-14(12)15)11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3
InChIKeyNXOKWLZZQAZWIB-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.14
Rot. Bonds4

About 4-butyl-3-chloro-6-phenylpyridazine

4-butyl-3-chloro-6-phenylpyridazine (PubChem CID 140576046) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-butyl-3-chloro-6-phenylpyridazine.

Molecular Properties

Compound Name4-butyl-3-chloro-6-phenylpyridazine
PubChem CID140576046
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name4-butyl-3-chloro-6-phenylpyridazine
SMILESCCCCc1cc(-c2ccccc2)nnc1Cl
InChIInChI=1S/C14H15ClN2/c1-2-3-7-12-10-13(16-17-14(12)15)11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3
InChIKeyNXOKWLZZQAZWIB-UHFFFAOYSA-N
XLogP4.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6-phenyl-4-(3-phenylpropyl)pyridazine
CID 59867515
(4-butyl-6-phenyl-3-pyridinyl)-trimethylsilane
CID 140738941
3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine
CID 13163232
azane;1-butyl-2-chlorobenzene
CID 19011342
1,3-dibutyl-2-phenylbenzene
CID 15421912
4-butyl-6-fluoro-2-phenylquinoline
CID 141464456
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
4-butyl-2-methyl-6-phenylpyrimidine
CID 71620016
4-butyl-6-phenylpyrimidine
CID 71620017
4-butyl-3,6-dipyridin-2-ylpyridazine
CID 6418950
2-butyl-N-methyl-6-phenylpyrimidin-4-amine
CID 79412255
1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene
CID 174571021

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-chloro-6-phenylpyridazine?
The IUPAC name of 4-butyl-3-chloro-6-phenylpyridazine (CID 140576046) is 4-butyl-3-chloro-6-phenylpyridazine.
What is the SMILES notation for 4-butyl-3-chloro-6-phenylpyridazine?
The canonical SMILES for 4-butyl-3-chloro-6-phenylpyridazine is CCCCc1cc(-c2ccccc2)nnc1Cl.
What is the InChIKey of 4-butyl-3-chloro-6-phenylpyridazine?
The InChIKey is NXOKWLZZQAZWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-2-3-7-12-10-13(16-17-14(12)15)11-8-5-4-6-9-11/h4-6,8-10H,2-3,7H2,1H3.
What are the key properties of 4-butyl-3-chloro-6-phenylpyridazine?
4-butyl-3-chloro-6-phenylpyridazine has a molecular weight of 246.74 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-chloro-6-phenylpyridazine is sourced from PubChem (CID 140576046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).