methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate

C16H12ClF2N3O2 — CID 118054516

IUPACmethyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3ccn(C)c3c2F)c(F)c(N)c1Cl
InChIInChI=1S/C16H12ClF2N3O2/c1-22-6-5-7-3-4-8(10(18)15(7)22)13-11(19)12(20)9(17)14(21-13)16(23)24-2/h3-6H,1-2H3,(H2,20,21)
InChIKeyBZULXTKQIXMLHQ-UHFFFAOYSA-N
MW351.74 g/mol
LogP3.54
Rot. Bonds2

About methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate (PubChem CID 118054516) has the molecular formula C16H12ClF2N3O2 and a molecular weight of 351.74 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate
PubChem CID118054516
Molecular FormulaC16H12ClF2N3O2
Molecular Weight351.74 g/mol
Exact Mass351.06
IUPAC Namemethyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3ccn(C)c3c2F)c(F)c(N)c1Cl
InChIInChI=1S/C16H12ClF2N3O2/c1-22-6-5-7-3-4-8(10(18)15(7)22)13-11(19)12(20)9(17)14(21-13)16(23)24-2/h3-6H,1-2H3,(H2,20,21)
InChIKeyBZULXTKQIXMLHQ-UHFFFAOYSA-N
XLogP3.54
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate (CID 118054516) is methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3ccn(C)c3c2F)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate?
The InChIKey is BZULXTKQIXMLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2/c1-22-6-5-7-3-4-8(10(18)15(7)22)13-11(19)12(20)9(17)14(21-13)16(23)24-2/h3-6H,1-2H3,(H2,20,21).
What are the key properties of methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate has a molecular weight of 351.74 g/mol, XLogP of 3.54, 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-(7-fluoro-1-methylindol-6-yl)pyridine-2-carboxylate is sourced from PubChem (CID 118054516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).