(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine

C8H9BrF2N2 — CID 171312815

IUPAC(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
SMILESN[C@@H](CC(F)F)c1cncc(Br)c1
InChIInChI=1S/C8H9BrF2N2/c9-6-1-5(3-13-4-6)7(12)2-8(10)11/h1,3-4,7-8H,2,12H2/t7-/m0/s1
InChIKeyRIZBSZOCLDVYGN-ZETCQYMHSA-N
MW251.07 g/mol
LogP2.50
Rot. Bonds3

About (1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine

(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine (PubChem CID 171312815) has the molecular formula C8H9BrF2N2 and a molecular weight of 251.07 g/mol. Its IUPAC name is (1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
PubChem CID171312815
Molecular FormulaC8H9BrF2N2
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
SMILESN[C@@H](CC(F)F)c1cncc(Br)c1
InChIInChI=1S/C8H9BrF2N2/c9-6-1-5(3-13-4-6)7(12)2-8(10)11/h1,3-4,7-8H,2,12H2/t7-/m0/s1
InChIKeyRIZBSZOCLDVYGN-ZETCQYMHSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-amine
CID 82922561
(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
CID 124518455
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
(1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313945
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198670
(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride
CID 171259817
1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine
CID 83161704
1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine
CID 130060487
(1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171198685

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine?
The IUPAC name of (1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine (CID 171312815) is (1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine?
The canonical SMILES for (1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine is N[C@@H](CC(F)F)c1cncc(Br)c1.
What is the InChIKey of (1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine?
The InChIKey is RIZBSZOCLDVYGN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9BrF2N2/c9-6-1-5(3-13-4-6)7(12)2-8(10)11/h1,3-4,7-8H,2,12H2/t7-/m0/s1.
What are the key properties of (1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine?
(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine has a molecular weight of 251.07 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 171312815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).