4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile

C10H9N3 — CID 140974064

IUPAC4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile
SMILESCc1cc(C)c2cc(C#N)[nH]c2n1
InChIInChI=1S/C10H9N3/c1-6-3-7(2)12-10-9(6)4-8(5-11)13-10/h3-4H,1-2H3,(H,12,13)
InChIKeySRHTUTQRRNDUTG-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.05
Rot. Bonds

About 4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile

4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile (PubChem CID 140974064) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile
PubChem CID140974064
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile
SMILESCc1cc(C)c2cc(C#N)[nH]c2n1
InChIInChI=1S/C10H9N3/c1-6-3-7(2)12-10-9(6)4-8(5-11)13-10/h3-4H,1-2H3,(H,12,13)
InChIKeySRHTUTQRRNDUTG-UHFFFAOYSA-N
XLogP2.05
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 135333311
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6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carbonitrile
CID 139269810
5,7-difluoro-4-methyl-1H-indole-2-carbonitrile
CID 145311742
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 66185869
5,7-dimethyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 5410048
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile
CID 137438435
4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile (CID 140974064) is 4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile is Cc1cc(C)c2cc(C#N)[nH]c2n1.
What is the InChIKey of 4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile?
The InChIKey is SRHTUTQRRNDUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-6-3-7(2)12-10-9(6)4-8(5-11)13-10/h3-4H,1-2H3,(H,12,13).
What are the key properties of 4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile?
4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile has a molecular weight of 171.20 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 140974064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).