1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine

C13H9F2NO — CID 144769713

IUPAC1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine
SMILESCc1ccc2c(c1)oc1c(C(F)F)nccc12
InChIInChI=1S/C13H9F2NO/c1-7-2-3-8-9-4-5-16-11(13(14)15)12(9)17-10(8)6-7/h2-6,13H,1H3
InChIKeyOIJHGTYTYXAJSN-UHFFFAOYSA-N
MW233.22 g/mol
LogP4.23
Rot. Bonds1

About 1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine

1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine (PubChem CID 144769713) has the molecular formula C13H9F2NO and a molecular weight of 233.22 g/mol. Its IUPAC name is 1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine
PubChem CID144769713
Molecular FormulaC13H9F2NO
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine
SMILESCc1ccc2c(c1)oc1c(C(F)F)nccc12
InChIInChI=1S/C13H9F2NO/c1-7-2-3-8-9-4-5-16-11(13(14)15)12(9)17-10(8)6-7/h2-6,13H,1H3
InChIKeyOIJHGTYTYXAJSN-UHFFFAOYSA-N
XLogP4.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-furo[2,3-c]pyridin-2-ylmethyl-4-methylpentan-2-ol
CID 11269886
4-[5-(4-Cyano-3-fluoro-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736415
4-[5-(2-Fluoro-4-aminocarbonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736417
4-[5-(4-Cyano-2-fluoro-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736569
4-(5-Pyridin-4-yl-furo[2,3-c]pyridin-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 71736572
4-[5-(3-Fluoro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736719
7-Propyl-N3-(3-(trifluoro-methyl)phenyl) furo[2,3-c] pyridine-2,3-diamine
CID 86582321
5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2-[1-(1-trifluoromethyl-cyclopropylmethyl)-piperidin-4-yl]-furo[2,3-c]pyridine
CID 86694583
4-fluoro-N-(3-methoxybenzyl) benzofuro[2,3-c] pyridine-7-carboxamide
CID 86764448
(R)-4-fluoro-N-(1-(3-methoxyphenyl) ethyl)benzofuro [2,3-c] pyridine-7-carboxamide
CID 86764449

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine (CID 144769713) is 1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine is Cc1ccc2c(c1)oc1c(C(F)F)nccc12.
What is the InChIKey of 1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is OIJHGTYTYXAJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO/c1-7-2-3-8-9-4-5-16-11(13(14)15)12(9)17-10(8)6-7/h2-6,13H,1H3.
What are the key properties of 1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine?
1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 233.22 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-7-methyl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 144769713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).