5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid

C9H9FN2O2 — CID 169463907

IUPAC5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid
SMILESNCC=Cc1cnc(F)c(C(=O)O)c1
InChIInChI=1S/C9H9FN2O2/c10-8-7(9(13)14)4-6(5-12-8)2-1-3-11/h1-2,4-5H,3,11H2,(H,13,14)
InChIKeyQXZMUFYVVMWCID-UHFFFAOYSA-N
MW196.18 g/mol
LogP0.89
Rot. Bonds3

About 5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid

5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid (PubChem CID 169463907) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid
PubChem CID169463907
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid
SMILESNCC=Cc1cnc(F)c(C(=O)O)c1
InChIInChI=1S/C9H9FN2O2/c10-8-7(9(13)14)4-6(5-12-8)2-1-3-11/h1-2,4-5H,3,11H2,(H,13,14)
InChIKeyQXZMUFYVVMWCID-UHFFFAOYSA-N
XLogP0.89
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(3-chloroprop-1-enyl)-2-fluoropyridine-3-carboxylic acid
CID 169477696
2-fluoro-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]pyridine-3-carboxylic acid
CID 169467897
5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid
CID 169463626
3-(5-amino-6-fluoro-3-pyridinyl)prop-2-enoic acid
CID 169460285
CID 172631320
CID 172631320
5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
CID 169465798
2-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylic acid
CID 170501228
5-(4-amino-4-oxobut-1-ynyl)-2-fluoropyridine-3-carboxylic acid
CID 170473449
2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid
CID 169464007
5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid
CID 169464273
3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine
CID 169463327
(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine
CID 82668283

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid?
The IUPAC name of 5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid (CID 169463907) is 5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid is NCC=Cc1cnc(F)c(C(=O)O)c1.
What is the InChIKey of 5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid?
The InChIKey is QXZMUFYVVMWCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c10-8-7(9(13)14)4-6(5-12-8)2-1-3-11/h1-2,4-5H,3,11H2,(H,13,14).
What are the key properties of 5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid?
5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid has a molecular weight of 196.18 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 169463907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).