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

C16H16N2O — CID 66416443

IUPAC[1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1cccc(Cn2cc(CO)c3cccnc32)c1
InChIInChI=1S/C16H16N2O/c1-12-4-2-5-13(8-12)9-18-10-14(11-19)15-6-3-7-17-16(15)18/h2-8,10,19H,9,11H2,1H3
InChIKeyJQFMAKIGSMNOPB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.89
Rot. Bonds3

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

[1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66416443) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is [1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66416443
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name[1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCc1cccc(Cn2cc(CO)c3cccnc32)c1
InChIInChI=1S/C16H16N2O/c1-12-4-2-5-13(8-12)9-18-10-14(11-19)15-6-3-7-17-16(15)18/h2-8,10,19H,9,11H2,1H3
InChIKeyJQFMAKIGSMNOPB-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66416443) is [1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is Cc1cccc(Cn2cc(CO)c3cccnc32)c1.
What is the InChIKey of [1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is JQFMAKIGSMNOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-4-2-5-13(8-12)9-18-10-14(11-19)15-6-3-7-17-16(15)18/h2-8,10,19H,9,11H2,1H3.
What are the key properties of [1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 252.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66416443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).