3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine

C12H16N2O — CID 170382364

IUPAC3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc2c(C(C)(C)C)c[nH]c2n1
InChIInChI=1S/C12H16N2O/c1-12(2,3)9-7-13-11-8(9)5-6-10(14-11)15-4/h5-7H,1-4H3,(H,13,14)
InChIKeyMYQUTXWCJCQHPE-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.87
Rot. Bonds1

About 3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine

3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170382364) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID170382364
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc2c(C(C)(C)C)c[nH]c2n1
InChIInChI=1S/C12H16N2O/c1-12(2,3)9-7-13-11-8(9)5-6-10(14-11)15-4/h5-7H,1-4H3,(H,13,14)
InChIKeyMYQUTXWCJCQHPE-UHFFFAOYSA-N
XLogP2.87
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-6-methoxy-1H-pyrrolo[2,3-b]pyridine
CID 123135175
6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 53412519
2-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 84663300
7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one
CID 156713395
ethane;7-methoxy-1H-1,8-naphthyridin-4-one
CID 155694720
4-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridine
CID 89297062
2-tert-butyl-3-chloro-6-methoxypyridine
CID 146377381
2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine
CID 153459080
1-(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]ethanone
CID 171813531
6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 82596565
7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 147144510
(6-methoxy-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol
CID 74891260

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine (CID 170382364) is 3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine is COc1ccc2c(C(C)(C)C)c[nH]c2n1.
What is the InChIKey of 3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MYQUTXWCJCQHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,3)9-7-13-11-8(9)5-6-10(14-11)15-4/h5-7H,1-4H3,(H,13,14).
What are the key properties of 3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine?
3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 204.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170382364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).