4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine

C26H20Br2N2 — CID 139043183

IUPAC4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine
SMILESBrc1ccc([C@H]2[C@H](c3ccncc3)[C@@H](c3ccc(Br)cc3)[C@H]2c2ccncc2)cc1
InChIInChI=1S/C26H20Br2N2/c27-21-5-1-17(2-6-21)23-25(19-9-13-29-14-10-19)24(18-3-7-22(28)8-4-18)26(23)20-11-15-30-16-12-20/h1-16,23-26H/t23-,24+,25-,26-
InChIKeyNHDLORYRNFCUEV-XYPHUQSFSA-N
MW520.27 g/mol
LogP7.45
Rot. Bonds4

About 4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine

4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine (PubChem CID 139043183) has the molecular formula C26H20Br2N2 and a molecular weight of 520.27 g/mol. Its IUPAC name is 4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine.

Molecular Properties

Compound Name4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine
PubChem CID139043183
Molecular FormulaC26H20Br2N2
Molecular Weight520.27 g/mol
Exact Mass518.00
IUPAC Name4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine
SMILESBrc1ccc([C@H]2[C@H](c3ccncc3)[C@@H](c3ccc(Br)cc3)[C@H]2c2ccncc2)cc1
InChIInChI=1S/C26H20Br2N2/c27-21-5-1-17(2-6-21)23-25(19-9-13-29-14-10-19)24(18-3-7-22(28)8-4-18)26(23)20-11-15-30-16-12-20/h1-16,23-26H/t23-,24+,25-,26-
InChIKeyNHDLORYRNFCUEV-XYPHUQSFSA-N
XLogP7.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.27
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6834
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Dexbrompheniramine
CID 16960
Zimelidine Dihydrochloride
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Benzylviologen
CID 14196
Zimeldine hydrochloride
CID 6420041
2-(4-Bromophenyl)-5-pentylpyridine
CID 3092175
2-(4-Bromophenyl)-5-butylpyridine
CID 3126214
(2E)-3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine
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4-(1,2-Diphenylethyl)pyridine
CID 242919
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
(-)-Brompheniramine
CID 6328079

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine?
The IUPAC name of 4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine (CID 139043183) is 4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine.
What is the SMILES notation for 4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine?
The canonical SMILES for 4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine is Brc1ccc([C@H]2[C@H](c3ccncc3)[C@@H](c3ccc(Br)cc3)[C@H]2c2ccncc2)cc1.
What is the InChIKey of 4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine?
The InChIKey is NHDLORYRNFCUEV-XYPHUQSFSA-N. The full InChI is InChI=1S/C26H20Br2N2/c27-21-5-1-17(2-6-21)23-25(19-9-13-29-14-10-19)24(18-3-7-22(28)8-4-18)26(23)20-11-15-30-16-12-20/h1-16,23-26H/t23-,24+,25-,26-.
What are the key properties of 4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine?
4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine has a molecular weight of 520.27 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(4-bromophenyl)-3-pyridin-4-ylcyclobutyl]pyridine is sourced from PubChem (CID 139043183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).