7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C14H14ClN3 — CID 79739169

IUPAC7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCc1c(Cl)nnc(C2CCc3cccnc32)c1C
InChIInChI=1S/C14H14ClN3/c1-8-9(2)14(15)18-17-12(8)11-6-5-10-4-3-7-16-13(10)11/h3-4,7,11H,5-6H2,1-2H3
InChIKeyMFRYMHCQKILYFB-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.22
Rot. Bonds1

About 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 79739169) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID79739169
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCc1c(Cl)nnc(C2CCc3cccnc32)c1C
InChIInChI=1S/C14H14ClN3/c1-8-9(2)14(15)18-17-12(8)11-6-5-10-4-3-7-16-13(10)11/h3-4,7,11H,5-6H2,1-2H3
InChIKeyMFRYMHCQKILYFB-UHFFFAOYSA-N
XLogP3.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739769
7-(5-chloropyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 105371323
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylphthalazin-1-amine
CID 79722455
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 79739582
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpyridin-3-amine
CID 114049651
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylpyridazin-3-amine
CID 79740307
7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80952013
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid
CID 81475709
7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79738012
3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine
CID 102753592
7-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80952163
7-(6-chloro-2-propylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80945467

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 79739169) is 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is Cc1c(Cl)nnc(C2CCc3cccnc32)c1C.
What is the InChIKey of 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is MFRYMHCQKILYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-8-9(2)14(15)18-17-12(8)11-6-5-10-4-3-7-16-13(10)11/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 259.74 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 79739169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).