3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine

C10H13ClN2 — CID 123504879

IUPAC3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine
SMILESC=C1C=CC(Cl)=NN1C(C)=CCC
InChIInChI=1S/C10H13ClN2/c1-4-5-8(2)13-9(3)6-7-10(11)12-13/h5-7H,3-4H2,1-2H3
InChIKeyPFQCORLOFPLDPO-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.24
Rot. Bonds2

About 3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine

3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine (PubChem CID 123504879) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine.

Molecular Properties

Compound Name3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine
PubChem CID123504879
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine
SMILESC=C1C=CC(Cl)=NN1C(C)=CCC
InChIInChI=1S/C10H13ClN2/c1-4-5-8(2)13-9(3)6-7-10(11)12-13/h5-7H,3-4H2,1-2H3
InChIKeyPFQCORLOFPLDPO-UHFFFAOYSA-N
XLogP3.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Tert-butyl-3-methyl-6-methylidenepyridazine
CID 58337017
CID 87112916
CID 87112916
2-Chloro-9-ethyl-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123600083
(Z)-3-[(6Z)-3-chloro-6-ethylidenepyridazin-1-yl]-4-methylpent-2-en-2-amine
CID 129081844
(6E)-5-bromo-1-[(Z)-but-2-en-2-yl]-6-butylidene-3-chloropyridazine;ethane
CID 144342470
3-chloro-1-[(2Z,4E)-6-chlorohexa-2,4-dien-3-yl]-6-methylidenepyridazine
CID 143419130
(6E)-5-bromo-1-[(Z)-but-2-en-2-yl]-6-butylidene-3-chloropyridazine
CID 144342471

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine?
The IUPAC name of 3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine (CID 123504879) is 3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine.
What is the SMILES notation for 3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine?
The canonical SMILES for 3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine is C=C1C=CC(Cl)=NN1C(C)=CCC.
What is the InChIKey of 3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine?
The InChIKey is PFQCORLOFPLDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-4-5-8(2)13-9(3)6-7-10(11)12-13/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine?
3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine has a molecular weight of 196.68 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methylidene-1-pent-2-en-2-ylpyridazine is sourced from PubChem (CID 123504879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).