2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol

C13H18N2O — CID 154454234

IUPAC2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol
SMILESCCCC(C)(O)Cc1cc2ccncc2[nH]1
InChIInChI=1S/C13H18N2O/c1-3-5-13(2,16)8-11-7-10-4-6-14-9-12(10)15-11/h4,6-7,9,15-16H,3,5,8H2,1-2H3
InChIKeyRCZUSDOKUXTLQV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.66
Rot. Bonds4

About 2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol

2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol (PubChem CID 154454234) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol
PubChem CID154454234
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol
SMILESCCCC(C)(O)Cc1cc2ccncc2[nH]1
InChIInChI=1S/C13H18N2O/c1-3-5-13(2,16)8-11-7-10-4-6-14-9-12(10)15-11/h4,6-7,9,15-16H,3,5,8H2,1-2H3
InChIKeyRCZUSDOKUXTLQV-UHFFFAOYSA-N
XLogP2.66
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol?
The IUPAC name of 2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol (CID 154454234) is 2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol.
What is the SMILES notation for 2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol?
The canonical SMILES for 2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol is CCCC(C)(O)Cc1cc2ccncc2[nH]1.
What is the InChIKey of 2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol?
The InChIKey is RCZUSDOKUXTLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-5-13(2,16)8-11-7-10-4-6-14-9-12(10)15-11/h4,6-7,9,15-16H,3,5,8H2,1-2H3.
What are the key properties of 2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol?
2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol has a molecular weight of 218.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol is sourced from PubChem (CID 154454234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).