5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane

C12H19BrN2 — CID 145223715

IUPAC5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
SMILESCC.CC.Cc1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C8H7BrN2.2C2H6/c1-5-3-10-8-7(5)2-6(9)4-11-8;2*1-2/h2-4H,1H3,(H,10,11);2*1-2H3
InChIKeyWWALXJPHSOYVDM-UHFFFAOYSA-N
MW271.20 g/mol
LogP4.69
Rot. Bonds

About 5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane

5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane (PubChem CID 145223715) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane.

Molecular Properties

Compound Name5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
PubChem CID145223715
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
SMILESCC.CC.Cc1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C8H7BrN2.2C2H6/c1-5-3-10-8-7(5)2-6(9)4-11-8;2*1-2/h2-4H,1H3,(H,10,11);2*1-2H3
InChIKeyWWALXJPHSOYVDM-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
CID 153389354
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 167028485
(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxyboronic acid
CID 174160474
5-bromo-3-butan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 139023960
methyl 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 73013620
5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide
CID 144889171
5-bromo-3-[2-(3-methyl-2-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
CID 168973130
N-[(Z)-[(E)-3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enylidene]amino]methanamine
CID 143178872
5-bromo-3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 70115518
1,5-dibromo-2,4-bis(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-3-one
CID 151661329
N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide
CID 141399732
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 70973837

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane?
The IUPAC name of 5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane (CID 145223715) is 5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane.
What is the SMILES notation for 5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane?
The canonical SMILES for 5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane is CC.CC.Cc1c[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane?
The InChIKey is WWALXJPHSOYVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2.2C2H6/c1-5-3-10-8-7(5)2-6(9)4-11-8;2*1-2/h2-4H,1H3,(H,10,11);2*1-2H3.
What are the key properties of 5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane?
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane has a molecular weight of 271.20 g/mol, XLogP of 4.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane is sourced from PubChem (CID 145223715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).