ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine

C16H30N2 — CID 145487043

IUPACethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine
SMILESCC.CC.CC.Cc1ccnc2c1c(C)cn2C
InChIInChI=1S/C10H12N2.3C2H6/c1-7-4-5-11-10-9(7)8(2)6-12(10)3;3*1-2/h4-6H,1-3H3;3*1-2H3
InChIKeyUEXMUJWXUWRADL-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.27
Rot. Bonds

About ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine

ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine (PubChem CID 145487043) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine
PubChem CID145487043
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Nameethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine
SMILESCC.CC.CC.Cc1ccnc2c1c(C)cn2C
InChIInChI=1S/C10H12N2.3C2H6/c1-7-4-5-11-10-9(7)8(2)6-12(10)3;3*1-2/h4-6H,1-3H3;3*1-2H3
InChIKeyUEXMUJWXUWRADL-UHFFFAOYSA-N
XLogP5.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine
CID 91219578
4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 177261833
1,3-dimethylpyrrolo[3,2-c]pyridin-4-amine;propane
CID 158248521
ethane;ethyl 4-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxylate
CID 176678206
4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 57443579
4,5,6,7-tetramethyl-1,10-phenanthroline
CID 67115643
5-chloro-4-methylquinoline;ethane
CID 156751076
1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155227317
ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine
CID 172576281
ethane;8-methylimidazo[1,2-b]pyridazine
CID 163275224
2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 150332027
4-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridin-3-amine
CID 82376108

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine (CID 145487043) is ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine is CC.CC.CC.Cc1ccnc2c1c(C)cn2C.
What is the InChIKey of ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine?
The InChIKey is UEXMUJWXUWRADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.3C2H6/c1-7-4-5-11-10-9(7)8(2)6-12(10)3;3*1-2/h4-6H,1-3H3;3*1-2H3.
What are the key properties of ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine?
ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine has a molecular weight of 250.43 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 145487043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).