5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid

C9H11BrN2O2 — CID 130642185

IUPAC5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid
SMILESCC[C@H](N)c1cnc(C(=O)O)c(Br)c1
InChIInChI=1S/C9H11BrN2O2/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-/m0/s1
InChIKeyLKZASKGZUVGTPR-ZETCQYMHSA-N
MW259.10 g/mol
LogP1.95
Rot. Bonds3

About 5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid

5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid (PubChem CID 130642185) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid
PubChem CID130642185
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid
SMILESCC[C@H](N)c1cnc(C(=O)O)c(Br)c1
InChIInChI=1S/C9H11BrN2O2/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-/m0/s1
InChIKeyLKZASKGZUVGTPR-ZETCQYMHSA-N
XLogP1.95
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid
CID 131052205
4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid
CID 55293398
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid
CID 169285876
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid
CID 170828477
3-[(1S)-1-aminopropyl]-4-bromobenzoic acid
CID 130730196
3-butan-2-yl-5-chloropyridine-2-carboxylic acid
CID 66931655
3-bromo-N-[(2S)-butan-2-yl]-5-fluoropyridine-2-carboxamide
CID 163646130
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid?
The IUPAC name of 5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid (CID 130642185) is 5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid?
The canonical SMILES for 5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid is CC[C@H](N)c1cnc(C(=O)O)c(Br)c1.
What is the InChIKey of 5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid?
The InChIKey is LKZASKGZUVGTPR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11BrN2O2/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-/m0/s1.
What are the key properties of 5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid?
5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid has a molecular weight of 259.10 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminopropyl]-3-bromopyridine-2-carboxylic acid is sourced from PubChem (CID 130642185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).