6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid

C15H10N2O3 — CID 155420261

IUPAC6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid
SMILESNc1ncc(C(=O)O)cc1C#Cc1cccc(C=O)c1
InChIInChI=1S/C15H10N2O3/c16-14-12(7-13(8-17-14)15(19)20)5-4-10-2-1-3-11(6-10)9-18/h1-3,6-9H,(H2,16,17)(H,19,20)
InChIKeyLKHVMCDJEQMYQN-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.57
Rot. Bonds2

About 6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid

6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid (PubChem CID 155420261) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid
PubChem CID155420261
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid
SMILESNc1ncc(C(=O)O)cc1C#Cc1cccc(C=O)c1
InChIInChI=1S/C15H10N2O3/c16-14-12(7-13(8-17-14)15(19)20)5-4-10-2-1-3-11(6-10)9-18/h1-3,6-9H,(H2,16,17)(H,19,20)
InChIKeyLKHVMCDJEQMYQN-UHFFFAOYSA-N
XLogP1.57
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]benzaldehyde
CID 163197805
6-amino-5-[2-(3-hydroxyphenyl)ethynyl]-N-sulfinylpyridine-3-carboxamide
CID 89050722
6-amino-5-(4-ethoxy-4-oxobut-1-ynyl)pyridine-3-carboxylic acid
CID 170471610
6-amino-5-[2-[3-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]ethynyl]pyridine-3-carboxamide
CID 155085344
3-formylbenzoic acid;methanol
CID 142242456
3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde
CID 101271988
5,6-diaminopyridine-3-carboxylic acid
CID 22476298
2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde
CID 123441309
methyl 3-(3-formylphenyl)prop-2-ynoate
CID 122242925
1-[6-amino-5-[2-[3-[(3-methylfuran-2-yl)methylamino]phenyl]ethynyl]-3-pyridinyl]-2-hydroxyethanone
CID 118150147
6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid
CID 165355758
methyl 2-[4-[2-(3-formylphenyl)ethynyl]phenyl]pyridine-4-carboxylate
CID 87564014

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid (CID 155420261) is 6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid is Nc1ncc(C(=O)O)cc1C#Cc1cccc(C=O)c1.
What is the InChIKey of 6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid?
The InChIKey is LKHVMCDJEQMYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c16-14-12(7-13(8-17-14)15(19)20)5-4-10-2-1-3-11(6-10)9-18/h1-3,6-9H,(H2,16,17)(H,19,20).
What are the key properties of 6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid?
6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 155420261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).