methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate

C16H13ClFN3O2 — CID 90450988

IUPACmethyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3c(ccn3C)c2)c(F)c(N)c1Cl
InChIInChI=1S/C16H13ClFN3O2/c1-21-6-5-8-7-9(3-4-10(8)21)14-12(18)13(19)11(17)15(20-14)16(22)23-2/h3-7H,1-2H3,(H2,19,20)
InChIKeyYXLUCFGMGRTKKG-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.40
Rot. Bonds2

About methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate (PubChem CID 90450988) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate
PubChem CID90450988
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC Namemethyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3c(ccn3C)c2)c(F)c(N)c1Cl
InChIInChI=1S/C16H13ClFN3O2/c1-21-6-5-8-7-9(3-4-10(8)21)14-12(18)13(19)11(17)15(20-14)16(22)23-2/h3-7H,1-2H3,(H2,19,20)
InChIKeyYXLUCFGMGRTKKG-UHFFFAOYSA-N
XLogP3.40
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate (CID 90450988) is methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3c(ccn3C)c2)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate?
The InChIKey is YXLUCFGMGRTKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c1-21-6-5-8-7-9(3-4-10(8)21)14-12(18)13(19)11(17)15(20-14)16(22)23-2/h3-7H,1-2H3,(H2,19,20).
What are the key properties of methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate has a molecular weight of 333.75 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindol-5-yl)pyridine-2-carboxylate is sourced from PubChem (CID 90450988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).