6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid

C10H9N3O2 — CID 170800033

IUPAC6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
SMILESN#CCC=Cc1cc(C(=O)O)cnc1N
InChIInChI=1S/C10H9N3O2/c11-4-2-1-3-7-5-8(10(14)15)6-13-9(7)12/h1,3,5-6H,2H2,(H2,12,13)(H,14,15)
InChIKeySEOIWHZCXQOMME-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.29
Rot. Bonds3

About 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid

6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid (PubChem CID 170800033) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
PubChem CID170800033
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
SMILESN#CCC=Cc1cc(C(=O)O)cnc1N
InChIInChI=1S/C10H9N3O2/c11-4-2-1-3-7-5-8(10(14)15)6-13-9(7)12/h1,3,5-6H,2H2,(H2,12,13)(H,14,15)
InChIKeySEOIWHZCXQOMME-UHFFFAOYSA-N
XLogP1.29
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate
CID 170800288
4-(2-amino-5-nitro-3-pyridinyl)but-3-enenitrile
CID 170800160
6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
CID 170799751
3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid
CID 170800016
3-amino-5-(3-cyanoprop-1-enyl)benzoic acid
CID 170800124
2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid
CID 170799749
methyl 6-chloro-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylate
CID 170800321
2-amino-3-(3-cyanoprop-1-enyl)-5-methylbenzoic acid
CID 170800329
5,6-diaminopyridine-3-carboxylic acid
CID 22476298
6-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901343
methyl 6-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170501488
4-(5-amino-2-chloro-3-pyridinyl)but-3-enenitrile
CID 170799310

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid (CID 170800033) is 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid is N#CCC=Cc1cc(C(=O)O)cnc1N.
What is the InChIKey of 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid?
The InChIKey is SEOIWHZCXQOMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-4-2-1-3-7-5-8(10(14)15)6-13-9(7)12/h1,3,5-6H,2H2,(H2,12,13)(H,14,15).
What are the key properties of 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid?
6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 170800033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).