3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide

C6H7Br2F2N — CID 175585217

IUPAC3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide
SMILESBr.FC(F)N1C=CC=C(Br)C1
InChIInChI=1S/C6H6BrF2N.BrH/c7-5-2-1-3-10(4-5)6(8)9;/h1-3,6H,4H2;1H
InChIKeyMODGZTLHOBWXHA-UHFFFAOYSA-N
MW290.93 g/mol
LogP2.89
Rot. Bonds1

About 3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide

3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide (PubChem CID 175585217) has the molecular formula C6H7Br2F2N and a molecular weight of 290.93 g/mol. Its IUPAC name is 3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide.

Molecular Properties

Compound Name3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide
PubChem CID175585217
Molecular FormulaC6H7Br2F2N
Molecular Weight290.93 g/mol
Exact Mass288.89
IUPAC Name3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide
SMILESBr.FC(F)N1C=CC=C(Br)C1
InChIInChI=1S/C6H6BrF2N.BrH/c7-5-2-1-3-10(4-5)6(8)9;/h1-3,6H,4H2;1H
InChIKeyMODGZTLHOBWXHA-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.93
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide?
The IUPAC name of 3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide (CID 175585217) is 3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide.
What is the SMILES notation for 3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide?
The canonical SMILES for 3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide is Br.FC(F)N1C=CC=C(Br)C1.
What is the InChIKey of 3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide?
The InChIKey is MODGZTLHOBWXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2N.BrH/c7-5-2-1-3-10(4-5)6(8)9;/h1-3,6H,4H2;1H.
What are the key properties of 3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide?
3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide has a molecular weight of 290.93 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(difluoromethyl)-2H-pyridine;hydrobromide is sourced from PubChem (CID 175585217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).