(1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine

C7H8BrFN2 — CID 130642809

IUPAC(1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine
SMILESN[C@H](CF)c1cccnc1Br
InChIInChI=1S/C7H8BrFN2/c8-7-5(6(10)4-9)2-1-3-11-7/h1-3,6H,4,10H2/t6-/m1/s1
InChIKeyGCDOWFPQTIVRNQ-ZCFIWIBFSA-N
MW219.06 g/mol
LogP1.81
Rot. Bonds2

About (1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine

(1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine (PubChem CID 130642809) has the molecular formula C7H8BrFN2 and a molecular weight of 219.06 g/mol. Its IUPAC name is (1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine
PubChem CID130642809
Molecular FormulaC7H8BrFN2
Molecular Weight219.06 g/mol
Exact Mass217.99
IUPAC Name(1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine
SMILESN[C@H](CF)c1cccnc1Br
InChIInChI=1S/C7H8BrFN2/c8-7-5(6(10)4-9)2-1-3-11-7/h1-3,6H,4,10H2/t6-/m1/s1
InChIKeyGCDOWFPQTIVRNQ-ZCFIWIBFSA-N
XLogP1.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171313620
(1S)-1-(2-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312989
(2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol
CID 130865139
(4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol
CID 171203504
(1R)-1-(2-bromo-3-pyridinyl)-2-cyclopropylethanamine
CID 130699495
(1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine
CID 130869347
(1S)-1-(2-bromo-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97290353
methyl 3-amino-3-(2-bromo-3-pyridinyl)propanoate
CID 165494272
(1S)-1-(2-bromo-3-pyridinyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311578
2-bromo-3-propan-2-ylpyridine
CID 23436869
(R)-(2-bromo-3-pyridinyl)-cyclopropylmethanamine
CID 124518533
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine?
The IUPAC name of (1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine (CID 130642809) is (1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine.
What is the SMILES notation for (1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine?
The canonical SMILES for (1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine is N[C@H](CF)c1cccnc1Br.
What is the InChIKey of (1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine?
The InChIKey is GCDOWFPQTIVRNQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8BrFN2/c8-7-5(6(10)4-9)2-1-3-11-7/h1-3,6H,4,10H2/t6-/m1/s1.
What are the key properties of (1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine?
(1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine has a molecular weight of 219.06 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine is sourced from PubChem (CID 130642809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).