ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

C11H13N3 — CID 145441189

IUPACethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
SMILESCC.Cc1c[nH]c2nccc(C#N)c12
InChIInChI=1S/C9H7N3.C2H6/c1-6-5-12-9-8(6)7(4-10)2-3-11-9;1-2/h2-3,5H,1H3,(H,11,12);1-2H3
InChIKeyRMMNRNDNATXUSK-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.77
Rot. Bonds

About ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile (PubChem CID 145441189) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile.

Molecular Properties

Compound Nameethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
PubChem CID145441189
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Nameethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
SMILESCC.Cc1c[nH]c2nccc(C#N)c12
InChIInChI=1S/C9H7N3.C2H6/c1-6-5-12-9-8(6)7(4-10)2-3-11-9;1-2/h2-3,5H,1H3,(H,11,12);1-2H3
InChIKeyRMMNRNDNATXUSK-UHFFFAOYSA-N
XLogP2.77
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol
CID 130121009
[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
CID 170449818
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 124705864
methane;3-methyl-1H-indole-4-carbonitrile
CID 161218603
4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]benzenethiol
CID 166959810
6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole-4-carbonitrile
CID 118224812
5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 5357765
N-[3-(4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-2-sulfonamide
CID 66646894
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 74890548
butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 144752647
ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
CID 144894366
4-[methyl-[(1S,2R)-2-methylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 67278046

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?
The IUPAC name of ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile (CID 145441189) is ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile.
What is the SMILES notation for ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?
The canonical SMILES for ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile is CC.Cc1c[nH]c2nccc(C#N)c12.
What is the InChIKey of ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?
The InChIKey is RMMNRNDNATXUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3.C2H6/c1-6-5-12-9-8(6)7(4-10)2-3-11-9;1-2/h2-3,5H,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?
ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile is sourced from PubChem (CID 145441189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).