2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide

C17H16Br2N2 — CID 172691698

IUPAC2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide
SMILESBr.Br.c1ccc(Cc2cc(-c3ccncc3)ccn2)cc1
InChIInChI=1S/C17H14N2.2BrH/c1-2-4-14(5-3-1)12-17-13-16(8-11-19-17)15-6-9-18-10-7-15;;/h1-11,13H,12H2;2*1H
InChIKeyBTNXLVZJSMSJOV-UHFFFAOYSA-N
MW408.14 g/mol
LogP4.89
Rot. Bonds3

About 2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide

2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide (PubChem CID 172691698) has the molecular formula C17H16Br2N2 and a molecular weight of 408.14 g/mol. Its IUPAC name is 2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide.

Molecular Properties

Compound Name2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide
PubChem CID172691698
Molecular FormulaC17H16Br2N2
Molecular Weight408.14 g/mol
Exact Mass405.97
IUPAC Name2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide
SMILESBr.Br.c1ccc(Cc2cc(-c3ccncc3)ccn2)cc1
InChIInChI=1S/C17H14N2.2BrH/c1-2-4-14(5-3-1)12-17-13-16(8-11-19-17)15-6-9-18-10-7-15;;/h1-11,13H,12H2;2*1H
InChIKeyBTNXLVZJSMSJOV-UHFFFAOYSA-N
XLogP4.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.14
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-benzylphenyl)pyridine
CID 174553937
(4-pyridin-4-yl-2-pyridinyl)methanol
CID 118807198
[4-(3-phenylphenyl)-2-pyridinyl]methanamine
CID 177019282
4,6-dibenzylpyrimidine
CID 59375742
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115009382
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760
azane;4-phenylpyridine
CID 175775455
2-methyl-1-(4-phenyl-2-pyridinyl)propan-2-amine
CID 115009378
3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115003999
2-benzyl-5-pyridin-4-yl-1,3-thiazole
CID 14207536
4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine
CID 100997111

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide?
The IUPAC name of 2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide (CID 172691698) is 2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide.
What is the SMILES notation for 2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide?
The canonical SMILES for 2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide is Br.Br.c1ccc(Cc2cc(-c3ccncc3)ccn2)cc1.
What is the InChIKey of 2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide?
The InChIKey is BTNXLVZJSMSJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2.2BrH/c1-2-4-14(5-3-1)12-17-13-16(8-11-19-17)15-6-9-18-10-7-15;;/h1-11,13H,12H2;2*1H.
What are the key properties of 2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide?
2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide has a molecular weight of 408.14 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-pyridin-4-ylpyridine;dihydrobromide is sourced from PubChem (CID 172691698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).