(1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride

C8H10BrClF2N2 — CID 171313619

IUPAC(1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1ccnc(Br)c1
InChIInChI=1S/C8H9BrF2N2.ClH/c9-7-3-5(1-2-13-7)6(12)4-8(10)11;/h1-3,6,8H,4,12H2;1H/t6-;/m1./s1
InChIKeyITMFZNDFUAVGBO-FYZOBXCZSA-N
MW287.54 g/mol
LogP2.92
Rot. Bonds3

About (1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride

(1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride (PubChem CID 171313619) has the molecular formula C8H10BrClF2N2 and a molecular weight of 287.54 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride
PubChem CID171313619
Molecular FormulaC8H10BrClF2N2
Molecular Weight287.54 g/mol
Exact Mass285.97
IUPAC Name(1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1ccnc(Br)c1
InChIInChI=1S/C8H9BrF2N2.ClH/c9-7-3-5(1-2-13-7)6(12)4-8(10)11;/h1-3,6,8H,4,12H2;1H/t6-;/m1./s1
InChIKeyITMFZNDFUAVGBO-FYZOBXCZSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 52.92
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-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride
CID 171240805
1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine
CID 130059138
(1S)-1-(2-bromo-4-pyridinyl)pentane-1,5-diamine;hydrochloride
CID 171222997
(1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride
CID 171203436
(1S)-1-(2-bromo-4-pyridinyl)but-3-en-1-amine
CID 87531117
(1S)-1-(2-bromo-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 130987039
(1R)-1-(3,5-dibromophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313945
(1S,2R)-1-amino-1-(2-bromo-4-pyridinyl)propan-2-ol
CID 130973088
2-(2-bromo-4-pyridinyl)propan-1-amine
CID 87304996
(1S,2S)-1-(2-bromo-4-pyridinyl)-2-cyclopropylethane-1,2-diamine
CID 131122759
(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312815
(1S)-1-(3-bromo-4-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313051

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride (CID 171313619) is (1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride is Cl.N[C@H](CC(F)F)c1ccnc(Br)c1.
What is the InChIKey of (1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride?
The InChIKey is ITMFZNDFUAVGBO-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H9BrF2N2.ClH/c9-7-3-5(1-2-13-7)6(12)4-8(10)11;/h1-3,6,8H,4,12H2;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride?
(1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride has a molecular weight of 287.54 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-4-pyridinyl)-3,3-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171313619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).