5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine

C12H8BrClF2N2 — CID 18439289

IUPAC5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine
SMILES[H]/N=c1\ccc(Br)cn1-c1cccc(Cl)c1C(F)F
InChIInChI=1S/C12H8BrClF2N2/c13-7-4-5-10(17)18(6-7)9-3-1-2-8(14)11(9)12(15)16/h1-6,12,17H/b17-10+
InChIKeyGBSYTZNSUUVCOB-LICLKQGHSA-N
MW333.56 g/mol
LogP4.31
Rot. Bonds2

About 5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine

5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine (PubChem CID 18439289) has the molecular formula C12H8BrClF2N2 and a molecular weight of 333.56 g/mol. Its IUPAC name is 5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine.

Molecular Properties

Compound Name5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine
PubChem CID18439289
Molecular FormulaC12H8BrClF2N2
Molecular Weight333.56 g/mol
Exact Mass331.95
IUPAC Name5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine
SMILES[H]/N=c1\ccc(Br)cn1-c1cccc(Cl)c1C(F)F
InChIInChI=1S/C12H8BrClF2N2/c13-7-4-5-10(17)18(6-7)9-3-1-2-8(14)11(9)12(15)16/h1-6,12,17H/b17-10+
InChIKeyGBSYTZNSUUVCOB-LICLKQGHSA-N
XLogP4.31
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine?
The IUPAC name of 5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine (CID 18439289) is 5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine.
What is the SMILES notation for 5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine?
The canonical SMILES for 5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine is [H]/N=c1\ccc(Br)cn1-c1cccc(Cl)c1C(F)F.
What is the InChIKey of 5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine?
The InChIKey is GBSYTZNSUUVCOB-LICLKQGHSA-N. The full InChI is InChI=1S/C12H8BrClF2N2/c13-7-4-5-10(17)18(6-7)9-3-1-2-8(14)11(9)12(15)16/h1-6,12,17H/b17-10+.
What are the key properties of 5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine?
5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine has a molecular weight of 333.56 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[3-chloro-2-(difluoromethyl)phenyl]pyridin-2-imine is sourced from PubChem (CID 18439289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).