1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole

C16H15FN2O2 — CID 103174105

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole
SMILESCOc1ccnc(Cn2ccc3c(F)cccc32)c1OC
InChIInChI=1S/C16H15FN2O2/c1-20-15-6-8-18-13(16(15)21-2)10-19-9-7-11-12(17)4-3-5-14(11)19/h3-9H,10H2,1-2H3
InChIKeyWBKOKUOXOCPSOC-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.24
Rot. Bonds4

About 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole (PubChem CID 103174105) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole
PubChem CID103174105
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole
SMILESCOc1ccnc(Cn2ccc3c(F)cccc32)c1OC
InChIInChI=1S/C16H15FN2O2/c1-20-15-6-8-18-13(16(15)21-2)10-19-9-7-11-12(17)4-3-5-14(11)19/h3-9H,10H2,1-2H3
InChIKeyWBKOKUOXOCPSOC-UHFFFAOYSA-N
XLogP3.24
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one
CID 99832866
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
CID 103172064
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 103174083
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 103173679
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103173671
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 103173349
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole
CID 102879188
1-[(4-ethylphenyl)methyl]-4-fluoroindole
CID 82792470
1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole
CID 82792935

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole (CID 103174105) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole is COc1ccnc(Cn2ccc3c(F)cccc32)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole?
The InChIKey is WBKOKUOXOCPSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-20-15-6-8-18-13(16(15)21-2)10-19-9-7-11-12(17)4-3-5-14(11)19/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole has a molecular weight of 286.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole is sourced from PubChem (CID 103174105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).