3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol

C8H7ClN2O — CID 53412635

IUPAC3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol
SMILESCc1c(O)cnc2[nH]cc(Cl)c12
InChIInChI=1S/C8H7ClN2O/c1-4-6(12)3-11-8-7(4)5(9)2-10-8/h2-3,12H,1H3,(H,10,11)
InChIKeyLNIHHBMYONXQJW-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.23
Rot. Bonds

About 3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol

3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol (PubChem CID 53412635) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol.

Molecular Properties

Compound Name3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol
PubChem CID53412635
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol
SMILESCc1c(O)cnc2[nH]cc(Cl)c12
InChIInChI=1S/C8H7ClN2O/c1-4-6(12)3-11-8-7(4)5(9)2-10-8/h2-3,12H,1H3,(H,10,11)
InChIKeyLNIHHBMYONXQJW-UHFFFAOYSA-N
XLogP2.23
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 123651895
3-bromo-4,5-dichloro-1H-pyrrolo[2,3-b]pyridine
CID 122173361
2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol
CID 131502833
4-chloro-3-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 146567972
5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 53412940
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(4-methylphenyl)ethanone
CID 115512617
4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-1-ium
CID 123132290
(3-bromo-2-methylphenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512724
4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 126970309
3-chloro-1H-pyrrolo[2,3-b]pyridine-5-thiol
CID 123626262
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 115512659
3-chloro-N-(2-methoxyethyl)-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 146568088

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol?
The IUPAC name of 3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol (CID 53412635) is 3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol.
What is the SMILES notation for 3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol?
The canonical SMILES for 3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol is Cc1c(O)cnc2[nH]cc(Cl)c12.
What is the InChIKey of 3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol?
The InChIKey is LNIHHBMYONXQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-4-6(12)3-11-8-7(4)5(9)2-10-8/h2-3,12H,1H3,(H,10,11).
What are the key properties of 3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol?
3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol has a molecular weight of 182.61 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-ol is sourced from PubChem (CID 53412635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).