1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide

C13H14BrFN2 — CID 71674687

IUPAC1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide
SMILESBr.[H]/N=c1\ccc(C)cn1Cc1cccc(F)c1
InChIInChI=1S/C13H13FN2.BrH/c1-10-5-6-13(15)16(8-10)9-11-3-2-4-12(14)7-11;/h2-8,15H,9H2,1H3;1H/b15-13+;
InChIKeyRYMOBVDMNAKRGV-GVYCEHEKSA-N
MW297.17 g/mol
LogP3.04
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide

1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide (PubChem CID 71674687) has the molecular formula C13H14BrFN2 and a molecular weight of 297.17 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide
PubChem CID71674687
Molecular FormulaC13H14BrFN2
Molecular Weight297.17 g/mol
Exact Mass296.03
IUPAC Name1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide
SMILESBr.[H]/N=c1\ccc(C)cn1Cc1cccc(F)c1
InChIInChI=1S/C13H13FN2.BrH/c1-10-5-6-13(15)16(8-10)9-11-3-2-4-12(14)7-11;/h2-8,15H,9H2,1H3;1H/b15-13+;
InChIKeyRYMOBVDMNAKRGV-GVYCEHEKSA-N
XLogP3.04
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide (CID 71674687) is 1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide is Br.[H]/N=c1\ccc(C)cn1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide?
The InChIKey is RYMOBVDMNAKRGV-GVYCEHEKSA-N. The full InChI is InChI=1S/C13H13FN2.BrH/c1-10-5-6-13(15)16(8-10)9-11-3-2-4-12(14)7-11;/h2-8,15H,9H2,1H3;1H/b15-13+;.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide?
1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide has a molecular weight of 297.17 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide is sourced from PubChem (CID 71674687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).