1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile

C16H13N3O — CID 58215788

IUPAC1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile
SMILESCc1c(-c2cccnc2)n(CO)c2ccc(C#N)cc12
InChIInChI=1S/C16H13N3O/c1-11-14-7-12(8-17)4-5-15(14)19(10-20)16(11)13-3-2-6-18-9-13/h2-7,9,20H,10H2,1H3
InChIKeyXRPUPIWHCIJSOV-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.83
Rot. Bonds2

About 1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile

1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile (PubChem CID 58215788) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile.

Molecular Properties

Compound Name1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile
PubChem CID58215788
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile
SMILESCc1c(-c2cccnc2)n(CO)c2ccc(C#N)cc12
InChIInChI=1S/C16H13N3O/c1-11-14-7-12(8-17)4-5-15(14)19(10-20)16(11)13-3-2-6-18-9-13/h2-7,9,20H,10H2,1H3
InChIKeyXRPUPIWHCIJSOV-UHFFFAOYSA-N
XLogP2.83
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropoxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile
CID 59534664
1,3-dimethyl-2-pyridin-3-ylindole-5-carbonitrile
CID 123248615
2-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile
CID 150648077
9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 166785139
9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064655
1-benzyl-5-fluoro-3-methyl-2-pyridin-3-ylindole
CID 141375001
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile
CID 137388859
2-fluoro-4-[(3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzonitrile
CID 58215630
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 138579059
4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166785159
1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile
CID 58215846
9-[3-(1,3-benzoxazol-2-yl)-2,4,5-tris(3,6-dicyanocarbazol-9-yl)-6-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 150579006

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile?
The IUPAC name of 1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile (CID 58215788) is 1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile.
What is the SMILES notation for 1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile?
The canonical SMILES for 1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile is Cc1c(-c2cccnc2)n(CO)c2ccc(C#N)cc12.
What is the InChIKey of 1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile?
The InChIKey is XRPUPIWHCIJSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-14-7-12(8-17)4-5-15(14)19(10-20)16(11)13-3-2-6-18-9-13/h2-7,9,20H,10H2,1H3.
What are the key properties of 1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile?
1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3-methyl-2-pyridin-3-ylindole-5-carbonitrile is sourced from PubChem (CID 58215788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).