2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine

C21H18BrNO — CID 164796614

IUPAC2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(Br)c3c2oc2ccccc23)c1
InChIInChI=1S/C21H18BrNO/c1-21(2,3)13-10-11-23-17(12-13)14-8-9-16(22)19-15-6-4-5-7-18(15)24-20(14)19/h4-12H,1-3H3
InChIKeyCDNMSHYGFUQISE-UHFFFAOYSA-N
MW380.29 g/mol
LogP6.71
Rot. Bonds1

About 2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine

2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine (PubChem CID 164796614) has the molecular formula C21H18BrNO and a molecular weight of 380.29 g/mol. Its IUPAC name is 2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine.

Molecular Properties

Compound Name2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine
PubChem CID164796614
Molecular FormulaC21H18BrNO
Molecular Weight380.29 g/mol
Exact Mass379.06
IUPAC Name2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine
SMILESCC(C)(C)c1ccnc(-c2ccc(Br)c3c2oc2ccccc23)c1
InChIInChI=1S/C21H18BrNO/c1-21(2,3)13-10-11-23-17(12-13)14-8-9-16(22)19-15-6-4-5-7-18(15)24-20(14)19/h4-12H,1-3H3
InChIKeyCDNMSHYGFUQISE-UHFFFAOYSA-N
XLogP6.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine
CID 155386640
4-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 171576824
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
[8-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-5-yl]-trimethylsilane
CID 164796745
8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
CID 155611309
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 155610480
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707805
4-(4-tert-butylphenyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)pyridine
CID 166043906
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-dibenzofuran-1-ylphenyl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(4-tert-butyl-2-pyridinyl)-2-dibenzofuran-1-ylphenyl]phenyl]phenyl]phenyl]-3-dibenzofuran-1-ylphenyl]-4-tert-butylpyridine
CID 153448961

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine?
The IUPAC name of 2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine (CID 164796614) is 2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine.
What is the SMILES notation for 2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine?
The canonical SMILES for 2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine is CC(C)(C)c1ccnc(-c2ccc(Br)c3c2oc2ccccc23)c1.
What is the InChIKey of 2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine?
The InChIKey is CDNMSHYGFUQISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO/c1-21(2,3)13-10-11-23-17(12-13)14-8-9-16(22)19-15-6-4-5-7-18(15)24-20(14)19/h4-12H,1-3H3.
What are the key properties of 2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine?
2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine has a molecular weight of 380.29 g/mol, XLogP of 6.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine is sourced from PubChem (CID 164796614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).