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

C9H9FN2O2 — CID 131026111

IUPAC5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid
SMILESC=C[C@H](N)c1cnc(C(=O)O)c(F)c1
InChIInChI=1S/C9H9FN2O2/c1-2-7(11)5-3-6(10)8(9(13)14)12-4-5/h2-4,7H,1,11H2,(H,13,14)/t7-/m0/s1
InChIKeyKNDYFNOYNPPWRM-ZETCQYMHSA-N
MW196.18 g/mol
LogP1.10
Rot. Bonds3

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

5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid (PubChem CID 131026111) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid
PubChem CID131026111
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid
SMILESC=C[C@H](N)c1cnc(C(=O)O)c(F)c1
InChIInChI=1S/C9H9FN2O2/c1-2-7(11)5-3-6(10)8(9(13)14)12-4-5/h2-4,7H,1,11H2,(H,13,14)/t7-/m0/s1
InChIKeyKNDYFNOYNPPWRM-ZETCQYMHSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid
CID 131871682
5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid
CID 131052205
(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine
CID 130642219
(1S)-1-(3,4,5-trifluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171225393
(1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171210030
4-(1-aminoprop-2-enyl)-3-fluorobenzoic acid
CID 55295675
4-[(1R)-1-aminoprop-2-enyl]benzoic acid;hydrochloride
CID 171198125
5-(1-aminoprop-2-enyl)pyridin-3-ol
CID 55295369
N-[5-[(1R)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide
CID 55274663
N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide
CID 130955914
2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid
CID 55297833
[4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol
CID 131196207

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid?
The IUPAC name of 5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid (CID 131026111) is 5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid is C=C[C@H](N)c1cnc(C(=O)O)c(F)c1.
What is the InChIKey of 5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid?
The InChIKey is KNDYFNOYNPPWRM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9FN2O2/c1-2-7(11)5-3-6(10)8(9(13)14)12-4-5/h2-4,7H,1,11H2,(H,13,14)/t7-/m0/s1.
What are the key properties of 5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid?
5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid has a molecular weight of 196.18 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 131026111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).