ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane

C13H22N2 — CID 142447462

IUPACethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane
SMILESCC.CCC.Cc1cnc2cc[nH]c2c1
InChIInChI=1S/C8H8N2.C3H8.C2H6/c1-6-4-8-7(10-5-6)2-3-9-8;1-3-2;1-2/h2-5,9H,1H3;3H2,1-2H3;1-2H3
InChIKeyOWSUQFFCQPCXDI-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.31
Rot. Bonds

About ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane

ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane (PubChem CID 142447462) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane.

Molecular Properties

Compound Nameethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane
PubChem CID142447462
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane
SMILESCC.CCC.Cc1cnc2cc[nH]c2c1
InChIInChI=1S/C8H8N2.C3H8.C2H6/c1-6-4-8-7(10-5-6)2-3-9-8;1-3-2;1-2/h2-5,9H,1H3;3H2,1-2H3;1-2H3
InChIKeyOWSUQFFCQPCXDI-UHFFFAOYSA-N
XLogP4.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine
CID 144559083
6-(4-bromobut-1-ynyl)-1H-pyrrolo[3,2-b]pyridine
CID 170466224
(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine
CID 97056959
ethyl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)but-3-ynoate
CID 170471391
N-methyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanamine
CID 84766983
2-methyl-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-amine
CID 84771256
2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol
CID 89389519
6-(2,5-dimethylthiophen-3-yl)-1H-pyrrolo[3,2-b]pyridine
CID 162768564
3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine
CID 84771242
2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol
CID 76847430
(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one
CID 97056961
1-(1H-pyrrolo[3,2-b]pyridin-6-yl)cyclopropan-1-amine
CID 55297717

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane?
The IUPAC name of ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane (CID 142447462) is ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane.
What is the SMILES notation for ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane?
The canonical SMILES for ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane is CC.CCC.Cc1cnc2cc[nH]c2c1.
What is the InChIKey of ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane?
The InChIKey is OWSUQFFCQPCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C3H8.C2H6/c1-6-4-8-7(10-5-6)2-3-9-8;1-3-2;1-2/h2-5,9H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane?
ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane has a molecular weight of 206.33 g/mol, XLogP of 4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane is sourced from PubChem (CID 142447462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).