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

C12H18N2 — CID 142876995

IUPACethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine
SMILESCC.CCc1c(C)[nH]c2cccnc12
InChIInChI=1S/C10H12N2.C2H6/c1-3-8-7(2)12-9-5-4-6-11-10(8)9;1-2/h4-6,12H,3H2,1-2H3;1-2H3
InChIKeyXYCHVFPPHADPLF-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.46
Rot. Bonds1

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

ethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 142876995) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is ethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Nameethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID142876995
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Nameethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine
SMILESCC.CCc1c(C)[nH]c2cccnc12
InChIInChI=1S/C10H12N2.C2H6/c1-3-8-7(2)12-9-5-4-6-11-10(8)9;1-2/h4-6,12H,3H2,1-2H3;1-2H3
InChIKeyXYCHVFPPHADPLF-UHFFFAOYSA-N
XLogP3.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1H-pyrrolo[3,2-b]pyridin-2-ol
CID 137200582
3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 84662505
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
ethane;3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 159886415
5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-1H-imidazo[4,5-b]pyridine
CID 155366063
4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one
CID 171984438
1-(2-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperidin-1-ylethanone
CID 118078508
4-ethyl-5-methyl-1H-benzimidazole
CID 130065712
diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
CID 57068684
methyl 3-[(4-methylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
CID 138558600
ethane;3-methyl-2H-pyrazolo[3,4-b]pyridine;propane
CID 143179270
2-ethoxy-1H-imidazo[4,5-b]pyridine
CID 69016773

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of ethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine (CID 142876995) is ethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for ethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for ethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine is CC.CCc1c(C)[nH]c2cccnc12.
What is the InChIKey of ethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is XYCHVFPPHADPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C2H6/c1-3-8-7(2)12-9-5-4-6-11-10(8)9;1-2/h4-6,12H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine?
ethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 190.29 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2-methyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 142876995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).