7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine

C11H12IN3O — CID 67469568

IUPAC7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine
SMILESIc1ccnc2cn(CC3CCCO3)nc12
InChIInChI=1S/C11H12IN3O/c12-9-3-4-13-10-7-15(14-11(9)10)6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2
InChIKeySLBIZSGREVRLBD-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.21
Rot. Bonds2

About 7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine

7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine (PubChem CID 67469568) has the molecular formula C11H12IN3O and a molecular weight of 329.14 g/mol. Its IUPAC name is 7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine
PubChem CID67469568
Molecular FormulaC11H12IN3O
Molecular Weight329.14 g/mol
Exact Mass329.00
IUPAC Name7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine
SMILESIc1ccnc2cn(CC3CCCO3)nc12
InChIInChI=1S/C11H12IN3O/c12-9-3-4-13-10-7-15(14-11(9)10)6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2
InChIKeySLBIZSGREVRLBD-UHFFFAOYSA-N
XLogP2.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-ylmethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 82401859
2-(chloromethyl)-7-methyl-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79293199
2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 87111262
2-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 83818730
1-[1-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanone
CID 155480196
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole
CID 56935415
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 171607061
3-nitro-1-(oxan-2-ylmethyl)pyrazole-4-sulfonyl chloride
CID 115371363
4-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]aniline
CID 63328036
4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole
CID 79784222
3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 11843028

Frequently Asked Questions

What is the IUPAC name of 7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine (CID 67469568) is 7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine is Ic1ccnc2cn(CC3CCCO3)nc12.
What is the InChIKey of 7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is SLBIZSGREVRLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O/c12-9-3-4-13-10-7-15(14-11(9)10)6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine?
7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 329.14 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 67469568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).