6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid

C10H8N2O2 — CID 170799751

IUPAC6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
SMILESN#CCC=Cc1ccc(C(=O)O)cn1
InChIInChI=1S/C10H8N2O2/c11-6-2-1-3-9-5-4-8(7-12-9)10(13)14/h1,3-5,7H,2H2,(H,13,14)
InChIKeyBKIMOJRIKVYUSH-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.71
Rot. Bonds3

About 6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid

6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid (PubChem CID 170799751) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
PubChem CID170799751
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
SMILESN#CCC=Cc1ccc(C(=O)O)cn1
InChIInChI=1S/C10H8N2O2/c11-6-2-1-3-9-5-4-8(7-12-9)10(13)14/h1,3-5,7H,2H2,(H,13,14)
InChIKeyBKIMOJRIKVYUSH-UHFFFAOYSA-N
XLogP1.71
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid
CID 170799749
4-(5-formyl-2-pyridinyl)but-3-enenitrile
CID 170799439
6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
CID 170800033
6-[2-[3,5,6-tris[2-(5-carboxy-2-pyridinyl)ethenyl]pyrazin-2-yl]ethenyl]pyridine-3-carboxylic acid
CID 54492377
4-(3-cyanoprop-1-enyl)pyridine-2-carboxylic acid
CID 170799753
3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid
CID 170800016
6-(4-ethoxy-4-oxobut-1-enyl)pyridine-3-carboxylic acid
CID 170796204
4-(3-cyanoprop-1-enyl)benzamide
CID 170799783
3-amino-5-(3-cyanoprop-1-enyl)benzoic acid
CID 170800124
6-acetylpyridine-3-carboxylic acid
CID 22323784
4-(3-cyanoprop-1-enyl)-2-fluorobenzoic acid
CID 170799929
methyl 6-chloro-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate
CID 170800321

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid (CID 170799751) is 6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid is N#CCC=Cc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid?
The InChIKey is BKIMOJRIKVYUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-6-2-1-3-9-5-4-8(7-12-9)10(13)14/h1,3-5,7H,2H2,(H,13,14).
What are the key properties of 6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid?
6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 170799751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).