(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol

C9H10N2O — CID 130121009

IUPAC(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol
SMILESCc1c[nH]c2nccc(CO)c12
InChIInChI=1S/C9H10N2O/c1-6-4-11-9-8(6)7(5-12)2-3-10-9/h2-4,12H,5H2,1H3,(H,10,11)
InChIKeyVQDSDVYSEQDVNA-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.36
Rot. Bonds1

About (3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol

(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol (PubChem CID 130121009) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol
PubChem CID130121009
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol
SMILESCc1c[nH]c2nccc(CO)c12
InChIInChI=1S/C9H10N2O/c1-6-4-11-9-8(6)7(5-12)2-3-10-9/h2-4,12H,5H2,1H3,(H,10,11)
InChIKeyVQDSDVYSEQDVNA-UHFFFAOYSA-N
XLogP1.36
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol?
The IUPAC name of (3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol (CID 130121009) is (3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol.
What is the SMILES notation for (3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol?
The canonical SMILES for (3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol is Cc1c[nH]c2nccc(CO)c12.
What is the InChIKey of (3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol?
The InChIKey is VQDSDVYSEQDVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-4-11-9-8(6)7(5-12)2-3-10-9/h2-4,12H,5H2,1H3,(H,10,11).
What are the key properties of (3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol?
(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol has a molecular weight of 162.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol is sourced from PubChem (CID 130121009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).