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

C14H14ClN3 — CID 79739769

IUPAC7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCCc1c(Cl)ncnc1C1CCc2cccnc21
InChIInChI=1S/C14H14ClN3/c1-2-10-13(17-8-18-14(10)15)11-6-5-9-4-3-7-16-12(9)11/h3-4,7-8,11H,2,5-6H2,1H3
InChIKeyZDADDCMYYIOACB-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.17
Rot. Bonds2

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

7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 79739769) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID79739769
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCCc1c(Cl)ncnc1C1CCc2cccnc21
InChIInChI=1S/C14H14ClN3/c1-2-10-13(17-8-18-14(10)15)11-6-5-9-4-3-7-16-12(9)11/h3-4,7-8,11H,2,5-6H2,1H3
InChIKeyZDADDCMYYIOACB-UHFFFAOYSA-N
XLogP3.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-propylpyrimidin-4-amine
CID 79739685
7-(5-chloropyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 105371323
7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739169
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 79739582
N-methyl-5-propyl-6-(5,6,7,8-tetrahydroquinolin-8-yl)pyrimidin-4-amine
CID 79722748
3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine
CID 102753592
1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)phenyl]propan-1-amine
CID 79739450
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;propane
CID 144513567
7-(6-chloro-2-propylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80945467
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylpyrimidin-4-amine
CID 80936065
7-(3-chlorocyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79738012
7-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80952163

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 79739769) is 7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is CCc1c(Cl)ncnc1C1CCc2cccnc21.
What is the InChIKey of 7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is ZDADDCMYYIOACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-2-10-13(17-8-18-14(10)15)11-6-5-9-4-3-7-16-12(9)11/h3-4,7-8,11H,2,5-6H2,1H3.
What are the key properties of 7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 259.74 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 79739769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).