3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol

C11H10N2O — CID 143836551

IUPAC3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol
SMILESCn1cc(C#CCO)c2ccncc21
InChIInChI=1S/C11H10N2O/c1-13-8-9(3-2-6-14)10-4-5-12-7-11(10)13/h4-5,7-8,14H,6H2,1H3
InChIKeyKPCIDOXGIGFABM-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.92
Rot. Bonds

About 3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol

3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol (PubChem CID 143836551) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol
PubChem CID143836551
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol
SMILESCn1cc(C#CCO)c2ccncc21
InChIInChI=1S/C11H10N2O/c1-13-8-9(3-2-6-14)10-4-5-12-7-11(10)13/h4-5,7-8,14H,6H2,1H3
InChIKeyKPCIDOXGIGFABM-UHFFFAOYSA-N
XLogP0.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol (CID 143836551) is 3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol is Cn1cc(C#CCO)c2ccncc21.
What is the InChIKey of 3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol?
The InChIKey is KPCIDOXGIGFABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-13-8-9(3-2-6-14)10-4-5-12-7-11(10)13/h4-5,7-8,14H,6H2,1H3.
What are the key properties of 3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol?
3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol has a molecular weight of 186.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolo[2,3-c]pyridin-3-yl)prop-2-yn-1-ol is sourced from PubChem (CID 143836551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).