5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carboxylic acid (HCID 71087346)

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Basic information

Standard SMILES: O=C(O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIKey: JPKWMNNAPKYWNH-UHFFFAOYSA-N
Molecular formula: C13H15NO3
Average molar mass: 233.26 g/mol

Names & identifiers

Preferred name: 5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carboxylic acid
IUPAC: 5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid

Names & synonyms

5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carboxylic acid1415898-71-35-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acidSCHEMBL14151801JPKWMNNAPKYWNH-UHFFFAOYSA-NA1-103785-cyclopropyl-6-cyclopropylmethyloxy-pyridine-2-carboxylic acid

Database identifiers

PubChem CID: 71087346

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 59.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 299

Related reactions

215 records

New reaction record

HRID 98908As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 99461As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 101023As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 105070As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 120529As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 126473As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 137072As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 145068As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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