6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid

C16H14N2O3 — CID 106903651

IUPAC6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(ccn2Cc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C16H14N2O3/c1-21-13-5-6-15-11(9-13)7-8-18(15)10-12-3-2-4-14(17-12)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyVCMZDUQPXYMBHE-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.79
Rot. Bonds4

About 6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid

6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 106903651) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID106903651
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(ccn2Cc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C16H14N2O3/c1-21-13-5-6-15-11(9-13)7-8-18(15)10-12-3-2-4-14(17-12)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyVCMZDUQPXYMBHE-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903722
5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole
CID 116619485
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116619644
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106904347
6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide
CID 68669781
6-[(4-methoxyphenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903462
[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine
CID 43329869
4-(5-methoxyindol-1-yl)but-2-enoic acid
CID 76940468
4-(5-methoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 77074701
methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate
CID 67685173
6-[(3-methoxyphenyl)sulfonylmethyl]pyridine-2-carboxylic acid
CID 106903815

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid (CID 106903651) is 6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid is COc1ccc2c(ccn2Cc2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is VCMZDUQPXYMBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-13-5-6-15-11(9-13)7-8-18(15)10-12-3-2-4-14(17-12)16(19)20/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid?
6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).