6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine

C18H20BrN5 — CID 143142756

IUPAC6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine
SMILESCc1c(C(C)C)cc(Br)nc1CCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C18H20BrN5/c1-11(2)15-10-17(19)20-16(12(15)3)9-6-13-4-7-14(8-5-13)18-21-23-24-22-18/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,21,22,23,24)
InChIKeyLFXWNKDKRXMCBM-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.24
Rot. Bonds5

About 6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine

6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine (PubChem CID 143142756) has the molecular formula C18H20BrN5 and a molecular weight of 386.30 g/mol. Its IUPAC name is 6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine.

Molecular Properties

Compound Name6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine
PubChem CID143142756
Molecular FormulaC18H20BrN5
Molecular Weight386.30 g/mol
Exact Mass385.09
IUPAC Name6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine
SMILESCc1c(C(C)C)cc(Br)nc1CCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C18H20BrN5/c1-11(2)15-10-17(19)20-16(12(15)3)9-6-13-4-7-14(8-5-13)18-21-23-24-22-18/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,21,22,23,24)
InChIKeyLFXWNKDKRXMCBM-UHFFFAOYSA-N
XLogP4.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
2,6-dichloro-4-[[4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-3-pyridinyl]oxymethyl]pyridine
CID 11669977
molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 142506375
ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 145087204
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 861438
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 158790051
1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
CID 59122734
5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole
CID 23540974
1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
CID 162214030
5-(4-ethylphenyl)-2H-tetrazole;1-isocyano-3-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 161472575
5-(4-bromo-3-fluorophenyl)-2H-tetrazole
CID 131599403

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine?
The IUPAC name of 6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine (CID 143142756) is 6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine.
What is the SMILES notation for 6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine?
The canonical SMILES for 6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine is Cc1c(C(C)C)cc(Br)nc1CCc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine?
The InChIKey is LFXWNKDKRXMCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5/c1-11(2)15-10-17(19)20-16(12(15)3)9-6-13-4-7-14(8-5-13)18-21-23-24-22-18/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,21,22,23,24).
What are the key properties of 6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine?
6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine has a molecular weight of 386.30 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine is sourced from PubChem (CID 143142756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).