N-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine

C12H8BrFN2 — CID 2351290

IUPACN-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine
SMILESFc1cc(Br)ccc1/N=C/c1ccncc1
InChIInChI=1S/C12H8BrFN2/c13-10-1-2-12(11(14)7-10)16-8-9-3-5-15-6-4-9/h1-8H/b16-8+
InChIKeyJXKRJDIJUJUTRN-LZYBPNLTSA-N
MW279.11 g/mol
LogP3.73
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine

N-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine (PubChem CID 2351290) has the molecular formula C12H8BrFN2 and a molecular weight of 279.11 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine
PubChem CID2351290
Molecular FormulaC12H8BrFN2
Molecular Weight279.11 g/mol
Exact Mass277.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine
SMILESFc1cc(Br)ccc1/N=C/c1ccncc1
InChIInChI=1S/C12H8BrFN2/c13-10-1-2-12(11(14)7-10)16-8-9-3-5-15-6-4-9/h1-8H/b16-8+
InChIKeyJXKRJDIJUJUTRN-LZYBPNLTSA-N
XLogP3.73
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine (CID 2351290) is N-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine is Fc1cc(Br)ccc1/N=C/c1ccncc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine?
The InChIKey is JXKRJDIJUJUTRN-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H8BrFN2/c13-10-1-2-12(11(14)7-10)16-8-9-3-5-15-6-4-9/h1-8H/b16-8+.
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine?
N-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine has a molecular weight of 279.11 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 2351290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).