5-bromo-3-(difluoromethyl)pyridin-2-amine

C6H5BrF2N2 — CID 90285441

IUPAC5-bromo-3-(difluoromethyl)pyridin-2-amine
SMILESNc1ncc(Br)cc1C(F)F
InChIInChI=1S/C6H5BrF2N2/c7-3-1-4(5(8)9)6(10)11-2-3/h1-2,5H,(H2,10,11)
InChIKeyCSAQTTOMTJSVQE-UHFFFAOYSA-N
MW223.02 g/mol
LogP2.36
Rot. Bonds1

About 5-bromo-3-(difluoromethyl)pyridin-2-amine

5-bromo-3-(difluoromethyl)pyridin-2-amine (PubChem CID 90285441) has the molecular formula C6H5BrF2N2 and a molecular weight of 223.02 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)pyridin-2-amine
PubChem CID90285441
Molecular FormulaC6H5BrF2N2
Molecular Weight223.02 g/mol
Exact Mass221.96
IUPAC Name5-bromo-3-(difluoromethyl)pyridin-2-amine
SMILESNc1ncc(Br)cc1C(F)F
InChIInChI=1S/C6H5BrF2N2/c7-3-1-4(5(8)9)6(10)11-2-3/h1-2,5H,(H2,10,11)
InChIKeyCSAQTTOMTJSVQE-UHFFFAOYSA-N
XLogP2.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(difluoromethyl)pyridin-2-amine (CID 90285441) is 5-bromo-3-(difluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(difluoromethyl)pyridin-2-amine is Nc1ncc(Br)cc1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)pyridin-2-amine?
The InChIKey is CSAQTTOMTJSVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2/c7-3-1-4(5(8)9)6(10)11-2-3/h1-2,5H,(H2,10,11).
What are the key properties of 5-bromo-3-(difluoromethyl)pyridin-2-amine?
5-bromo-3-(difluoromethyl)pyridin-2-amine has a molecular weight of 223.02 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)pyridin-2-amine is sourced from PubChem (CID 90285441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).