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5-(1H-indol-4-yl)-nicotinic acid

HCID 22135477
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1cncc(-c2cccc3[nH]ccc23)c1
InChIKey
QHKNDTMJIYFKMA-UHFFFAOYSA-N
Molecular formula
C14H10N2O2
Average molar mass
238.24 g/mol

Names & identifiers

Preferred name
5-(1H-indol-4-yl)-nicotinic acid
IUPAC
5-(1H-indol-4-yl)pyridine-3-carboxylic acid

Names & synonyms

SCHEMBL5830596QHKNDTMJIYFKMA-UHFFFAOYSA-N5-(1H-indol-4-yl)-nicotinic acid

Database identifiers

PubChem CID
22135477

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
66 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
321

Related reactions

5 records
New reaction record
HRID 988142 reaction equation
HRID 988142As productuspto-grants-2003_10
HRID 988143 reaction equation
HRID 988143As reactantuspto-grants-2003_10
HRID 1118802 reaction equation
HRID 1118802As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1826723 reaction equation
HRID 1826723As productuspto-grants-2006_05
HRID 1826724 reaction equation
HRID 1826724As reactantuspto-grants-2006_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes