(1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride

C7H8BrClF2N2 — CID 171240805

IUPAC(1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@H](c1ccnc(Br)c1)C(F)F
InChIInChI=1S/C7H7BrF2N2.ClH/c8-5-3-4(1-2-12-5)6(11)7(9)10;/h1-3,6-7H,11H2;1H/t6-;/m1./s1
InChIKeyLWHMRYPLDCUEFH-FYZOBXCZSA-N
MW273.51 g/mol
LogP2.53
Rot. Bonds2

About (1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride

(1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride (PubChem CID 171240805) has the molecular formula C7H8BrClF2N2 and a molecular weight of 273.51 g/mol. Its IUPAC name is (1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride
PubChem CID171240805
Molecular FormulaC7H8BrClF2N2
Molecular Weight273.51 g/mol
Exact Mass271.95
IUPAC Name(1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@H](c1ccnc(Br)c1)C(F)F
InChIInChI=1S/C7H7BrF2N2.ClH/c8-5-3-4(1-2-12-5)6(11)7(9)10;/h1-3,6-7H,11H2;1H/t6-;/m1./s1
InChIKeyLWHMRYPLDCUEFH-FYZOBXCZSA-N
XLogP2.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride (CID 171240805) is (1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride is Cl.N[C@H](c1ccnc(Br)c1)C(F)F.
What is the InChIKey of (1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride?
The InChIKey is LWHMRYPLDCUEFH-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H7BrF2N2.ClH/c8-5-3-4(1-2-12-5)6(11)7(9)10;/h1-3,6-7H,11H2;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride?
(1R)-1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine;hydrochloride has a molecular weight of 273.51 g/mol, XLogP of 2.53, 2 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)-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 171240805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).