2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid

C10H8N2O2 — CID 170799749

IUPAC2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid
SMILESN#CCC=Cc1cc(C(=O)O)ccn1
InChIInChI=1S/C10H8N2O2/c11-5-2-1-3-9-7-8(10(13)14)4-6-12-9/h1,3-4,6-7H,2H2,(H,13,14)
InChIKeyYZRPCQWFOFBJHN-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.71
Rot. Bonds3

About 2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid

2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid (PubChem CID 170799749) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid
PubChem CID170799749
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid
SMILESN#CCC=Cc1cc(C(=O)O)ccn1
InChIInChI=1S/C10H8N2O2/c11-5-2-1-3-9-7-8(10(13)14)4-6-12-9/h1,3-4,6-7H,2H2,(H,13,14)
InChIKeyYZRPCQWFOFBJHN-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

6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
CID 170799751
4-(3-cyanoprop-1-enyl)pyridine-2-carboxylic acid
CID 170799753
4-(4-formyl-2-pyridinyl)but-3-enenitrile
CID 170799437
2-(4-acetylsulfanylbut-1-enyl)pyridine-4-carboxylic acid
CID 170480181
3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid
CID 170800016
2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid
CID 126800632
6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
CID 170800033
4-(2-amino-4-pyridinyl)but-3-enenitrile
CID 170799120
4-(2-bromo-4-pyridinyl)but-3-enenitrile
CID 170800715
3-amino-5-(3-cyanoprop-1-enyl)benzoic acid
CID 170800124
2-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-4-carboxylic acid
CID 170494109
2-(3-cyanoprop-1-ynyl)pyridine-4-carboxylic acid
CID 170474880

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid (CID 170799749) is 2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid is N#CCC=Cc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid?
The InChIKey is YZRPCQWFOFBJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-5-2-1-3-9-7-8(10(13)14)4-6-12-9/h1,3-4,6-7H,2H2,(H,13,14).
What are the key properties of 2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid?
2-(3-cyanoprop-1-enyl)pyridine-4-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 2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 170799749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).