(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol

C12H13ClN2O — CID 58010144

IUPAC(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol
SMILESOC(c1c(Cl)cnc2[nH]ccc12)C1CCC1
InChIInChI=1S/C12H13ClN2O/c13-9-6-15-12-8(4-5-14-12)10(9)11(16)7-2-1-3-7/h4-7,11,16H,1-3H2,(H,14,15)
InChIKeyAIEVQVSTTXDFNU-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.05
Rot. Bonds2

About (5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol

(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol (PubChem CID 58010144) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is (5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol.

Molecular Properties

Compound Name(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol
PubChem CID58010144
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol
SMILESOC(c1c(Cl)cnc2[nH]ccc12)C1CCC1
InChIInChI=1S/C12H13ClN2O/c13-9-6-15-12-8(4-5-14-12)10(9)11(16)7-2-1-3-7/h4-7,11,16H,1-3H2,(H,14,15)
InChIKeyAIEVQVSTTXDFNU-UHFFFAOYSA-N
XLogP3.05
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol?
The IUPAC name of (5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol (CID 58010144) is (5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol.
What is the SMILES notation for (5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol?
The canonical SMILES for (5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol is OC(c1c(Cl)cnc2[nH]ccc12)C1CCC1.
What is the InChIKey of (5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol?
The InChIKey is AIEVQVSTTXDFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-9-6-15-12-8(4-5-14-12)10(9)11(16)7-2-1-3-7/h4-7,11,16H,1-3H2,(H,14,15).
What are the key properties of (5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol?
(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol has a molecular weight of 236.70 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-cyclobutylmethanol is sourced from PubChem (CID 58010144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).