(1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine

C9H12BrFN2 — CID 130612069

IUPAC(1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine
SMILESCCC[C@@H](N)c1cc(Br)cnc1F
InChIInChI=1S/C9H12BrFN2/c1-2-3-8(12)7-4-6(10)5-13-9(7)11/h4-5,8H,2-3,12H2,1H3/t8-/m1/s1
InChIKeyVQWYCCJFWFTBMH-MRVPVSSYSA-N
MW247.11 g/mol
LogP2.78
Rot. Bonds3

About (1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine

(1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine (PubChem CID 130612069) has the molecular formula C9H12BrFN2 and a molecular weight of 247.11 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine
PubChem CID130612069
Molecular FormulaC9H12BrFN2
Molecular Weight247.11 g/mol
Exact Mass246.02
IUPAC Name(1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine
SMILESCCC[C@@H](N)c1cc(Br)cnc1F
InChIInChI=1S/C9H12BrFN2/c1-2-3-8(12)7-4-6(10)5-13-9(7)11/h4-5,8H,2-3,12H2,1H3/t8-/m1/s1
InChIKeyVQWYCCJFWFTBMH-MRVPVSSYSA-N
XLogP2.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 52.78
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

5-(1-aminobutyl)-2-fluoropyridin-3-amine
CID 55294196
1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 83988354
(1S)-1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 103694433
3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
CID 84705565
1-(5-bromo-2-pyridinyl)pentan-1-amine
CID 70087058
(3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
CID 130664394
(1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine
CID 55271248
1-(5-bromo-2-fluorophenyl)octan-1-amine
CID 114894454
1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 106797276
5-bromo-2-N-hex-1-yn-3-ylpyridine-2,3-diamine
CID 106233126
2-[(1S)-1-aminobutyl]-4,5-difluorophenol
CID 130865865

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine?
The IUPAC name of (1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine (CID 130612069) is (1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine.
What is the SMILES notation for (1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine?
The canonical SMILES for (1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine is CCC[C@@H](N)c1cc(Br)cnc1F.
What is the InChIKey of (1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine?
The InChIKey is VQWYCCJFWFTBMH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12BrFN2/c1-2-3-8(12)7-4-6(10)5-13-9(7)11/h4-5,8H,2-3,12H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine?
(1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine has a molecular weight of 247.11 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 130612069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).