5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid

C9H11FN2O2 — CID 131052205

IUPAC5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid
SMILESCC[C@@H](N)c1cnc(C(=O)O)c(F)c1
InChIInChI=1S/C9H11FN2O2/c1-2-7(11)5-3-6(10)8(9(13)14)12-4-5/h3-4,7H,2,11H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyFQIJWYMIBPKELD-SSDOTTSWSA-N
MW198.20 g/mol
LogP1.33
Rot. Bonds3

About 5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid

5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid (PubChem CID 131052205) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid
PubChem CID131052205
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid
SMILESCC[C@@H](N)c1cnc(C(=O)O)c(F)c1
InChIInChI=1S/C9H11FN2O2/c1-2-7(11)5-3-6(10)8(9(13)14)12-4-5/h3-4,7H,2,11H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyFQIJWYMIBPKELD-SSDOTTSWSA-N
XLogP1.33
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid
CID 130642185
5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid
CID 131871682
5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid
CID 131026111
(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 55255857
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid
CID 55293398
3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid
CID 55272910
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid
CID 170828477
3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098067
3-butan-2-yl-5-chloropyridine-2-carboxylic acid
CID 66931655
[5-(1-aminopropyl)-2-fluorophenyl]methanol
CID 55283310

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid?
The IUPAC name of 5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid (CID 131052205) is 5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid is CC[C@@H](N)c1cnc(C(=O)O)c(F)c1.
What is the InChIKey of 5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid?
The InChIKey is FQIJWYMIBPKELD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-2-7(11)5-3-6(10)8(9(13)14)12-4-5/h3-4,7H,2,11H2,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of 5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid?
5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid has a molecular weight of 198.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 131052205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).