1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine

C7H7BrF2N2 — CID 130059138

IUPAC1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine
SMILESNC(c1ccnc(Br)c1)C(F)F
InChIInChI=1S/C7H7BrF2N2/c8-5-3-4(1-2-12-5)6(11)7(9)10/h1-3,6-7H,11H2
InChIKeyFQLAZDQLGZRQTL-UHFFFAOYSA-N
MW237.05 g/mol
LogP2.11
Rot. Bonds2

About 1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine

1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine (PubChem CID 130059138) has the molecular formula C7H7BrF2N2 and a molecular weight of 237.05 g/mol. Its IUPAC name is 1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine
PubChem CID130059138
Molecular FormulaC7H7BrF2N2
Molecular Weight237.05 g/mol
Exact Mass235.98
IUPAC Name1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine
SMILESNC(c1ccnc(Br)c1)C(F)F
InChIInChI=1S/C7H7BrF2N2/c8-5-3-4(1-2-12-5)6(11)7(9)10/h1-3,6-7H,11H2
InChIKeyFQLAZDQLGZRQTL-UHFFFAOYSA-N
XLogP2.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.05
LogP ≤ 52.11
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 1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine?
The IUPAC name of 1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine (CID 130059138) is 1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine.
What is the SMILES notation for 1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine?
The canonical SMILES for 1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine is NC(c1ccnc(Br)c1)C(F)F.
What is the InChIKey of 1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine?
The InChIKey is FQLAZDQLGZRQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2/c8-5-3-4(1-2-12-5)6(11)7(9)10/h1-3,6-7H,11H2.
What are the key properties of 1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine?
1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine has a molecular weight of 237.05 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-pyridinyl)-2,2-difluoroethanamine is sourced from PubChem (CID 130059138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).