[1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol

C10H10ClN3O — CID 71743012

IUPAC[1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol
SMILESOCC1(n2ccc3c(Cl)ncnc32)CC1
InChIInChI=1S/C10H10ClN3O/c11-8-7-1-4-14(9(7)13-6-12-8)10(5-15)2-3-10/h1,4,6,15H,2-3,5H2
InChIKeyXBVVLNCWKAXSMZ-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.57
Rot. Bonds2

About [1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol

[1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol (PubChem CID 71743012) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is [1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol
PubChem CID71743012
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name[1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol
SMILESOCC1(n2ccc3c(Cl)ncnc32)CC1
InChIInChI=1S/C10H10ClN3O/c11-8-7-1-4-14(9(7)13-6-12-8)10(5-15)2-3-10/h1,4,6,15H,2-3,5H2
InChIKeyXBVVLNCWKAXSMZ-UHFFFAOYSA-N
XLogP1.57
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol?
The IUPAC name of [1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol (CID 71743012) is [1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol.
What is the SMILES notation for [1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol?
The canonical SMILES for [1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol is OCC1(n2ccc3c(Cl)ncnc32)CC1.
What is the InChIKey of [1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol?
The InChIKey is XBVVLNCWKAXSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-8-7-1-4-14(9(7)13-6-12-8)10(5-15)2-3-10/h1,4,6,15H,2-3,5H2.
What are the key properties of [1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol?
[1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol has a molecular weight of 223.66 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopropyl]methanol is sourced from PubChem (CID 71743012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).