3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine

C11H13ClN2O — CID 176573664

IUPAC3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
SMILESCOc1cc2[nH]c(C(C)C)c(Cl)c2cn1
InChIInChI=1S/C11H13ClN2O/c1-6(2)11-10(12)7-5-13-9(15-3)4-8(7)14-11/h4-6,14H,1-3H3
InChIKeyGOKFGTGBJFXWEW-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.35
Rot. Bonds2

About 3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine

3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 176573664) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
PubChem CID176573664
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
SMILESCOc1cc2[nH]c(C(C)C)c(Cl)c2cn1
InChIInChI=1S/C11H13ClN2O/c1-6(2)11-10(12)7-5-13-9(15-3)4-8(7)14-11/h4-6,14H,1-3H3
InChIKeyGOKFGTGBJFXWEW-UHFFFAOYSA-N
XLogP3.35
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine (CID 176573664) is 3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine is COc1cc2[nH]c(C(C)C)c(Cl)c2cn1.
What is the InChIKey of 3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is GOKFGTGBJFXWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-6(2)11-10(12)7-5-13-9(15-3)4-8(7)14-11/h4-6,14H,1-3H3.
What are the key properties of 3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 224.69 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 176573664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).