2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol

C9H10ClNO — CID 155193886

IUPAC2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESCC1(O)CCc2ccc(Cl)nc21
InChIInChI=1S/C9H10ClNO/c1-9(12)5-4-6-2-3-7(10)11-8(6)9/h2-3,12H,4-5H2,1H3
InChIKeyALXGNSSTEZJPKW-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.89
Rot. Bonds

About 2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol

2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol (PubChem CID 155193886) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
PubChem CID155193886
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESCC1(O)CCc2ccc(Cl)nc21
InChIInChI=1S/C9H10ClNO/c1-9(12)5-4-6-2-3-7(10)11-8(6)9/h2-3,12H,4-5H2,1H3
InChIKeyALXGNSSTEZJPKW-UHFFFAOYSA-N
XLogP1.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol
CID 118664076
2-chloro-6,7-dihydro-5H-quinolin-8-one;2-chloro-8-methyl-6,7-dihydro-5H-quinolin-8-ol
CID 161343295
tert-butyl N-(2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-yl)carbamate
CID 171624143
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
CID 42609290
8-azido-2-chloro-8-propyl-6,7-dihydro-5H-quinoline
CID 118663693
2-tert-butyl-8-methylspiro[5,6-dihydroquinoline-7,1'-cyclopropane]-8-ol
CID 177283929
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 15012906
2-chloro-5,5,8,8-tetramethyl-6H-1,6-naphthyridin-7-one
CID 170254370
10-chloro-7,7-dimethyl-3-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene
CID 138500591
7-chloro-3,3-dimethyl-2,4-dihydro-1H-1,8-naphthyridine
CID 141108596
[(7S)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methanol
CID 102140405
2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one
CID 130326984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The IUPAC name of 2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol (CID 155193886) is 2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol.
What is the SMILES notation for 2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The canonical SMILES for 2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol is CC1(O)CCc2ccc(Cl)nc21.
What is the InChIKey of 2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The InChIKey is ALXGNSSTEZJPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-9(12)5-4-6-2-3-7(10)11-8(6)9/h2-3,12H,4-5H2,1H3.
What are the key properties of 2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol?
2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol has a molecular weight of 183.64 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-5,6-dihydrocyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 155193886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).