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

C6H5BrF2N2 — CID 130094561

IUPAC4-bromo-5-(difluoromethyl)pyridin-3-amine
SMILESNc1cncc(C(F)F)c1Br
InChIInChI=1S/C6H5BrF2N2/c7-5-3(6(8)9)1-11-2-4(5)10/h1-2,6H,10H2
InChIKeyHUMXTJNQEGLRSR-UHFFFAOYSA-N
MW223.02 g/mol
LogP2.36
Rot. Bonds1

About 4-bromo-5-(difluoromethyl)pyridin-3-amine

4-bromo-5-(difluoromethyl)pyridin-3-amine (PubChem CID 130094561) has the molecular formula C6H5BrF2N2 and a molecular weight of 223.02 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)pyridin-3-amine
PubChem CID130094561
Molecular FormulaC6H5BrF2N2
Molecular Weight223.02 g/mol
Exact Mass221.96
IUPAC Name4-bromo-5-(difluoromethyl)pyridin-3-amine
SMILESNc1cncc(C(F)F)c1Br
InChIInChI=1S/C6H5BrF2N2/c7-5-3(6(8)9)1-11-2-4(5)10/h1-2,6H,10H2
InChIKeyHUMXTJNQEGLRSR-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 4-bromo-5-(difluoromethyl)pyridin-3-amine?
The IUPAC name of 4-bromo-5-(difluoromethyl)pyridin-3-amine (CID 130094561) is 4-bromo-5-(difluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-bromo-5-(difluoromethyl)pyridin-3-amine is Nc1cncc(C(F)F)c1Br.
What is the InChIKey of 4-bromo-5-(difluoromethyl)pyridin-3-amine?
The InChIKey is HUMXTJNQEGLRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2/c7-5-3(6(8)9)1-11-2-4(5)10/h1-2,6H,10H2.
What are the key properties of 4-bromo-5-(difluoromethyl)pyridin-3-amine?
4-bromo-5-(difluoromethyl)pyridin-3-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 4-bromo-5-(difluoromethyl)pyridin-3-amine is sourced from PubChem (CID 130094561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).