1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol

C10H11ClN4O — CID 170577005

IUPAC1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol
SMILESCC1(O)CN(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C10H11ClN4O/c1-10(16)4-15(5-10)9-6-3-12-8(11)2-7(6)13-14-9/h2-3,16H,4-5H2,1H3,(H,13,14)
InChIKeyFCLDFLGUXOXBEA-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.18
Rot. Bonds1

About 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol

1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol (PubChem CID 170577005) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol
PubChem CID170577005
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol
SMILESCC1(O)CN(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C10H11ClN4O/c1-10(16)4-15(5-10)9-6-3-12-8(11)2-7(6)13-14-9/h2-3,16H,4-5H2,1H3,(H,13,14)
InChIKeyFCLDFLGUXOXBEA-UHFFFAOYSA-N
XLogP1.18
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol (CID 170577005) is 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol is CC1(O)CN(c2n[nH]c3cc(Cl)ncc23)C1.
What is the InChIKey of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol?
The InChIKey is FCLDFLGUXOXBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-10(16)4-15(5-10)9-6-3-12-8(11)2-7(6)13-14-9/h2-3,16H,4-5H2,1H3,(H,13,14).
What are the key properties of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol?
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol has a molecular weight of 238.68 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-methylazetidin-3-ol is sourced from PubChem (CID 170577005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).