7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine

C16H14F2N2O — CID 11594442

IUPAC7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
SMILESCc1[nH]c2c(OCc3cccc(F)c3F)nccc2c1C
InChIInChI=1S/C16H14F2N2O/c1-9-10(2)20-15-12(9)6-7-19-16(15)21-8-11-4-3-5-13(17)14(11)18/h3-7,20H,8H2,1-2H3
InChIKeyRBTFLPUHGMDXAC-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.04
Rot. Bonds3

About 7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine

7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 11594442) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
PubChem CID11594442
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
SMILESCc1[nH]c2c(OCc3cccc(F)c3F)nccc2c1C
InChIInChI=1S/C16H14F2N2O/c1-9-10(2)20-15-12(9)6-7-19-16(15)21-8-11-4-3-5-13(17)14(11)18/h3-7,20H,8H2,1-2H3
InChIKeyRBTFLPUHGMDXAC-UHFFFAOYSA-N
XLogP4.04
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
CID 112614225
N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride
CID 67142470
5-[(2,3-difluorophenyl)methoxy]-2-fluoropyridine
CID 115371725
1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 81004752
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
(2,3-difluorophenyl)methyl methanesulfonate
CID 102620759
N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
2-[(2,3-difluorophenyl)methoxy]ethanamine
CID 62343610
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene
CID 43659017
[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962216
1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767

Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine (CID 11594442) is 7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine is Cc1[nH]c2c(OCc3cccc(F)c3F)nccc2c1C.
What is the InChIKey of 7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is RBTFLPUHGMDXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-9-10(2)20-15-12(9)6-7-19-16(15)21-8-11-4-3-5-13(17)14(11)18/h3-7,20H,8H2,1-2H3.
What are the key properties of 7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine?
7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 288.30 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-difluorophenyl)methoxy]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11594442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).