4-chloro-6-methyl-7H-cyclopenta[b]pyridine

C9H8ClN — CID 58146844

IUPAC4-chloro-6-methyl-7H-cyclopenta[b]pyridine
SMILESCC1=Cc2c(Cl)ccnc2C1
InChIInChI=1S/C9H8ClN/c1-6-4-7-8(10)2-3-11-9(7)5-6/h2-4H,5H2,1H3
InChIKeyCCABPOQOXBICAV-UHFFFAOYSA-N
MW165.62 g/mol
LogP2.69
Rot. Bonds

About 4-chloro-6-methyl-7H-cyclopenta[b]pyridine

4-chloro-6-methyl-7H-cyclopenta[b]pyridine (PubChem CID 58146844) has the molecular formula C9H8ClN and a molecular weight of 165.62 g/mol. Its IUPAC name is 4-chloro-6-methyl-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-chloro-6-methyl-7H-cyclopenta[b]pyridine
PubChem CID58146844
Molecular FormulaC9H8ClN
Molecular Weight165.62 g/mol
Exact Mass165.03
IUPAC Name4-chloro-6-methyl-7H-cyclopenta[b]pyridine
SMILESCC1=Cc2c(Cl)ccnc2C1
InChIInChI=1S/C9H8ClN/c1-6-4-7-8(10)2-3-11-9(7)5-6/h2-4H,5H2,1H3
InChIKeyCCABPOQOXBICAV-UHFFFAOYSA-N
XLogP2.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-6-methyl-7H-cyclopenta[b]pyridine-3-carboxylic acid
CID 58146835
4-chloro-7-methyl-5,6,7,8-tetrahydroquinoline
CID 150264959
4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 133056624
4-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride
CID 71303349
7-chloro-3H-pyrrolo[3,2-b]pyridine
CID 157297745
4-chloro-2-iodo-3-methylpyridine
CID 118845264
4-chloro-3-fluoro-2-methylpyridine
CID 18727750
4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride
CID 141028452
7-chloro-2,3-dihydrothieno[3,2-b]pyridine
CID 89033152
3,4-dichloro-2-methoxypyridine
CID 57485134
3-tert-butyl-2,4-dichloropyridine
CID 152672393
4-chloro-7-methyl-1,6-naphthyridine
CID 69177238

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-7H-cyclopenta[b]pyridine?
The IUPAC name of 4-chloro-6-methyl-7H-cyclopenta[b]pyridine (CID 58146844) is 4-chloro-6-methyl-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-chloro-6-methyl-7H-cyclopenta[b]pyridine?
The canonical SMILES for 4-chloro-6-methyl-7H-cyclopenta[b]pyridine is CC1=Cc2c(Cl)ccnc2C1.
What is the InChIKey of 4-chloro-6-methyl-7H-cyclopenta[b]pyridine?
The InChIKey is CCABPOQOXBICAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN/c1-6-4-7-8(10)2-3-11-9(7)5-6/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-6-methyl-7H-cyclopenta[b]pyridine?
4-chloro-6-methyl-7H-cyclopenta[b]pyridine has a molecular weight of 165.62 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 58146844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).