6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine

C21H20N2O — CID 155610480

IUPAC6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
SMILESCc1cc2oc3c(-c4cc(C(C)(C)C)ccn4)cccc3c2cn1
InChIInChI=1S/C21H20N2O/c1-13-10-19-17(12-23-13)15-6-5-7-16(20(15)24-19)18-11-14(8-9-22-18)21(2,3)4/h5-12H,1-4H3
InChIKeyRHZRVRHYBAHJDR-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.65
Rot. Bonds1

About 6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine

6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine (PubChem CID 155610480) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
PubChem CID155610480
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
SMILESCc1cc2oc3c(-c4cc(C(C)(C)C)ccn4)cccc3c2cn1
InChIInChI=1S/C21H20N2O/c1-13-10-19-17(12-23-13)15-6-5-7-16(20(15)24-19)18-11-14(8-9-22-18)21(2,3)4/h5-12H,1-4H3
InChIKeyRHZRVRHYBAHJDR-UHFFFAOYSA-N
XLogP5.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole
CID 169301818
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883
8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
CID 155611309
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
6-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 90140756
4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile
CID 170546327
4-tert-butyl-2-[14-(2,4,6-trimethylphenyl)-10,21-dioxa-14-borapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]pyridine
CID 169301862
10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline
CID 172522614
2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611964

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine (CID 155610480) is 6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine is Cc1cc2oc3c(-c4cc(C(C)(C)C)ccn4)cccc3c2cn1.
What is the InChIKey of 6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine?
The InChIKey is RHZRVRHYBAHJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-13-10-19-17(12-23-13)15-6-5-7-16(20(15)24-19)18-11-14(8-9-22-18)21(2,3)4/h5-12H,1-4H3.
What are the key properties of 6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine?
6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine has a molecular weight of 316.40 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 155610480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).