6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid

C16H11N3O2 — CID 107919713

IUPAC6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid
SMILESN#Cc1ccc2c(ccn2Cc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C16H11N3O2/c17-8-11-1-4-15-12(7-11)5-6-19(15)10-14-3-2-13(9-18-14)16(20)21/h1-7,9H,10H2,(H,20,21)
InChIKeyXKVVICUTHHRENV-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.65
Rot. Bonds3

About 6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid

6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid (PubChem CID 107919713) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid
PubChem CID107919713
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid
SMILESN#Cc1ccc2c(ccn2Cc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C16H11N3O2/c17-8-11-1-4-15-12(7-11)5-6-19(15)10-14-3-2-13(9-18-14)16(20)21/h1-7,9H,10H2,(H,20,21)
InChIKeyXKVVICUTHHRENV-UHFFFAOYSA-N
XLogP2.65
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-cyano-4-pyridinyl)methyl]indole-5-carboxylic acid
CID 63881963
6-[(4,5-dicyanoimidazol-1-yl)methyl]pyridine-3-carboxylic acid
CID 112594979
1-[(2-cyanophenyl)methyl]indole-5-carboxylic acid
CID 63748946
(Z)-4-(5-cyanoindol-1-yl)-2-methylbut-2-enoic acid
CID 107919718
1-(3-oxobutyl)indole-5-carbonitrile
CID 107919976
1-(1,3-thiazol-5-ylmethyl)indole-5-carbonitrile
CID 107920256
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545
1-(4-oxopentyl)indole-5-carbonitrile
CID 107919956
1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]indole-5-carbonitrile
CID 107919679
1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile
CID 107920424
1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile
CID 91690059
1-(3-hydroxy-3-methylbutyl)indole-5-carbonitrile
CID 114015947

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid (CID 107919713) is 6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid is N#Cc1ccc2c(ccn2Cc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid?
The InChIKey is XKVVICUTHHRENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c17-8-11-1-4-15-12(7-11)5-6-19(15)10-14-3-2-13(9-18-14)16(20)21/h1-7,9H,10H2,(H,20,21).
What are the key properties of 6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid?
6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyanoindol-1-yl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 107919713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).