6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine

C8H9BrF2N2 — CID 130774419

IUPAC6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine
SMILESCC(Nc1cccc(Br)n1)C(F)F
InChIInChI=1S/C8H9BrF2N2/c1-5(8(10)11)12-7-4-2-3-6(9)13-7/h2-5,8H,1H3,(H,12,13)
InChIKeyMOWDHBPVUPHCJT-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.91
Rot. Bonds3

About 6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine

6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine (PubChem CID 130774419) has the molecular formula C8H9BrF2N2 and a molecular weight of 251.07 g/mol. Its IUPAC name is 6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine
PubChem CID130774419
Molecular FormulaC8H9BrF2N2
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine
SMILESCC(Nc1cccc(Br)n1)C(F)F
InChIInChI=1S/C8H9BrF2N2/c1-5(8(10)11)12-7-4-2-3-6(9)13-7/h2-5,8H,1H3,(H,12,13)
InChIKeyMOWDHBPVUPHCJT-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 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 ≤ 52.91
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 6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine (CID 130774419) is 6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine is CC(Nc1cccc(Br)n1)C(F)F.
What is the InChIKey of 6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine?
The InChIKey is MOWDHBPVUPHCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2/c1-5(8(10)11)12-7-4-2-3-6(9)13-7/h2-5,8H,1H3,(H,12,13).
What are the key properties of 6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine?
6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine has a molecular weight of 251.07 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1,1-difluoropropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 130774419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).