3-tert-butyl-2-methylfuro[3,2-b]pyridine

C12H15NO — CID 158992511

IUPAC3-tert-butyl-2-methylfuro[3,2-b]pyridine
SMILESCc1oc2cccnc2c1C(C)(C)C
InChIInChI=1S/C12H15NO/c1-8-10(12(2,3)4)11-9(14-8)6-5-7-13-11/h5-7H,1-4H3
InChIKeyJQIJJWHKFNOOLO-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.43
Rot. Bonds

About 3-tert-butyl-2-methylfuro[3,2-b]pyridine

3-tert-butyl-2-methylfuro[3,2-b]pyridine (PubChem CID 158992511) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-tert-butyl-2-methylfuro[3,2-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-methylfuro[3,2-b]pyridine
PubChem CID158992511
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-tert-butyl-2-methylfuro[3,2-b]pyridine
SMILESCc1oc2cccnc2c1C(C)(C)C
InChIInChI=1S/C12H15NO/c1-8-10(12(2,3)4)11-9(14-8)6-5-7-13-11/h5-7H,1-4H3
InChIKeyJQIJJWHKFNOOLO-UHFFFAOYSA-N
XLogP3.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-3-propan-2-ylfuro[3,2-b]pyridine
CID 142876939
(2-methylfuro[3,2-b]pyridin-3-yl) acetate
CID 10511904
6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 90090613
3-tert-butyl-[1,2]oxazolo[4,5-b]pyridine
CID 59825811
ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123551658
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
CID 70245532
3-tert-butyl-2-methylpyridine;ethane
CID 90980079
2-furo[3,2-b]pyridin-3-ylpropan-2-amine
CID 84767165
13-[2-(9-oxo-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-13-yl)propan-2-yl]-8-oxa-3,11-diazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaen-9-one
CID 140634099
7-tert-butyl-8-methylquinoline
CID 146326372
6-tert-butyl-[1,3,2]benzodioxaphosphepino[5,4-b]pyridine
CID 164836247
8-tert-butyl-5-methyl-1,6-naphthyridine
CID 170078486

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methylfuro[3,2-b]pyridine?
The IUPAC name of 3-tert-butyl-2-methylfuro[3,2-b]pyridine (CID 158992511) is 3-tert-butyl-2-methylfuro[3,2-b]pyridine.
What is the SMILES notation for 3-tert-butyl-2-methylfuro[3,2-b]pyridine?
The canonical SMILES for 3-tert-butyl-2-methylfuro[3,2-b]pyridine is Cc1oc2cccnc2c1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methylfuro[3,2-b]pyridine?
The InChIKey is JQIJJWHKFNOOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-10(12(2,3)4)11-9(14-8)6-5-7-13-11/h5-7H,1-4H3.
What are the key properties of 3-tert-butyl-2-methylfuro[3,2-b]pyridine?
3-tert-butyl-2-methylfuro[3,2-b]pyridine has a molecular weight of 189.26 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methylfuro[3,2-b]pyridine is sourced from PubChem (CID 158992511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).