8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine

C13H8F3NO — CID 143777651

IUPAC8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
SMILESCc1ccc2oc3cc(C(F)(F)F)cnc3c2c1
InChIInChI=1S/C13H8F3NO/c1-7-2-3-10-9(4-7)12-11(18-10)5-8(6-17-12)13(14,15)16/h2-6H,1H3
InChIKeyXKXYMKLMQVVXTN-UHFFFAOYSA-N
MW251.21 g/mol
LogP4.31
Rot. Bonds

About 8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine

8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 143777651) has the molecular formula C13H8F3NO and a molecular weight of 251.21 g/mol. Its IUPAC name is 8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
PubChem CID143777651
Molecular FormulaC13H8F3NO
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
SMILESCc1ccc2oc3cc(C(F)(F)F)cnc3c2c1
InChIInChI=1S/C13H8F3NO/c1-7-2-3-10-9(4-7)12-11(18-10)5-8(6-17-12)13(14,15)16/h2-6H,1H3
InChIKeyXKXYMKLMQVVXTN-UHFFFAOYSA-N
XLogP4.31
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193767
3-methyl-[1]benzofuro[3,2-b]pyridine
CID 118331307
3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 162085685
8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 142710269
3-(2-oxopropoxy)-6-(trifluoromethyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 169127213
3-methoxy-7-methyl-[1]benzofuro[3,2-b]pyridine
CID 177207014
3-methyl-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193813
6-(2-aminopropan-2-yl)-2-methylxanthene-9-thione
CID 88670772
2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran
CID 88865185
2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 20610489
3-methoxy-8-methylisochromeno[4,3-b]pyridin-6-one
CID 167663655
actinium;8-methyldibenzofuran-2-ol
CID 18739071

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine (CID 143777651) is 8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine is Cc1ccc2oc3cc(C(F)(F)F)cnc3c2c1.
What is the InChIKey of 8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine?
The InChIKey is XKXYMKLMQVVXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO/c1-7-2-3-10-9(4-7)12-11(18-10)5-8(6-17-12)13(14,15)16/h2-6H,1H3.
What are the key properties of 8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine?
8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 251.21 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 143777651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).