methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate

C19H17FN2O3 — CID 155669366

IUPACmethyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1ccc2ccn(C(=O)C(C)C)c2c1F
InChIInChI=1S/C19H17FN2O3/c1-11(2)18(23)22-10-8-12-6-7-13(15(20)17(12)22)14-5-4-9-21-16(14)19(24)25-3/h4-11H,1-3H3
InChIKeyFUXLNJAYFPWRTR-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.93
Rot. Bonds3

About methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate

methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate (PubChem CID 155669366) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate
PubChem CID155669366
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Namemethyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1-c1ccc2ccn(C(=O)C(C)C)c2c1F
InChIInChI=1S/C19H17FN2O3/c1-11(2)18(23)22-10-8-12-6-7-13(15(20)17(12)22)14-5-4-9-21-16(14)19(24)25-3/h4-11H,1-3H3
InChIKeyFUXLNJAYFPWRTR-UHFFFAOYSA-N
XLogP3.93
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634494
methyl 6-[1-(2,2-dimethylpropanoyl)-7-fluoroindol-6-yl]-5-fluoropyridine-2-carboxylate
CID 175822613
methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 141441800
methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate
CID 175067958
methyl 3-(3-fluoro-4-trimethylsilylphenyl)pyridine-2-carboxylate
CID 150115292
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
methyl 3-(6-carbamoyl-4-chloro-2-pyridinyl)pyridine-2-carboxylate
CID 71245215
methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate
CID 58291743
methyl 8-fluoroquinoline-7-carboxylate
CID 169130767
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
methyl 3-(3-bromophenyl)pyridine-2-carboxylate
CID 102538275

Frequently Asked Questions

What is the IUPAC name of methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate (CID 155669366) is methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate is COC(=O)c1ncccc1-c1ccc2ccn(C(=O)C(C)C)c2c1F.
What is the InChIKey of methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate?
The InChIKey is FUXLNJAYFPWRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-11(2)18(23)22-10-8-12-6-7-13(15(20)17(12)22)14-5-4-9-21-16(14)19(24)25-3/h4-11H,1-3H3.
What are the key properties of methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate?
methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate has a molecular weight of 340.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate is sourced from PubChem (CID 155669366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).