3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol

C7H5ClN2S — CID 123626262

IUPAC3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol
SMILESSc1cnc2[nH]cc(Cl)c2c1
InChIInChI=1S/C7H5ClN2S/c8-6-3-10-7-5(6)1-4(11)2-9-7/h1-3,11H,(H,9,10)
InChIKeyQYUPNZKTSCXEQJ-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.51
Rot. Bonds

About 3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol

3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol (PubChem CID 123626262) has the molecular formula C7H5ClN2S and a molecular weight of 184.65 g/mol. Its IUPAC name is 3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol.

Molecular Properties

Compound Name3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol
PubChem CID123626262
Molecular FormulaC7H5ClN2S
Molecular Weight184.65 g/mol
Exact Mass183.99
IUPAC Name3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol
SMILESSc1cnc2[nH]cc(Cl)c2c1
InChIInChI=1S/C7H5ClN2S/c8-6-3-10-7-5(6)1-4(11)2-9-7/h1-3,11H,(H,9,10)
InChIKeyQYUPNZKTSCXEQJ-UHFFFAOYSA-N
XLogP2.51
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide
CID 86301622
3-chloro-5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 59137309
4,6-dichloro-2H-2,7-naphthyridin-1-one
CID 134830487
(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide
CID 86301299
3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol
CID 53412635
2-(5-chloro-7H-pyrrolo[2,3-c]pyridazin-3-yl)phenol
CID 163374209
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile
CID 121439452
6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-[(4-hydroxycyclohexyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
CID 58216994
2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-1,3-oxazole-5-carboxamide
CID 139341050
3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine
CID 122173361
5-tert-butyl-3-[(2-chlorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 177072478
3-chloro-N-[6-[(3-chloroquinolin-6-yl)methyl]cyclotetradecyl]-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 139442838

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol?
The IUPAC name of 3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol (CID 123626262) is 3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol.
What is the SMILES notation for 3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol?
The canonical SMILES for 3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol is Sc1cnc2[nH]cc(Cl)c2c1.
What is the InChIKey of 3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol?
The InChIKey is QYUPNZKTSCXEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c8-6-3-10-7-5(6)1-4(11)2-9-7/h1-3,11H,(H,9,10).
What are the key properties of 3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol?
3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol has a molecular weight of 184.65 g/mol, XLogP of 2.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol is sourced from PubChem (CID 123626262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).