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

C15H11ClFN3O2 — CID 90417756

IUPACmethyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cc[nH]c3c2F)cc(N)c1Cl
InChIInChI=1S/C15H11ClFN3O2/c1-22-15(21)14-11(16)9(18)6-10(20-14)8-3-2-7-4-5-19-13(7)12(8)17/h2-6,19H,1H3,(H2,18,20)
InChIKeyOIHHYXMMUCNHKV-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.39
Rot. Bonds2

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

methyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate (PubChem CID 90417756) has the molecular formula C15H11ClFN3O2 and a molecular weight of 319.72 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
PubChem CID90417756
Molecular FormulaC15H11ClFN3O2
Molecular Weight319.72 g/mol
Exact Mass319.05
IUPAC Namemethyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cc[nH]c3c2F)cc(N)c1Cl
InChIInChI=1S/C15H11ClFN3O2/c1-22-15(21)14-11(16)9(18)6-10(20-14)8-3-2-7-4-5-19-13(7)12(8)17/h2-6,19H,1H3,(H2,18,20)
InChIKeyOIHHYXMMUCNHKV-UHFFFAOYSA-N
XLogP3.39
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate (CID 90417756) is methyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
The InChIKey is OIHHYXMMUCNHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2/c1-22-15(21)14-11(16)9(18)6-10(20-14)8-3-2-7-4-5-19-13(7)12(8)17/h2-6,19H,1H3,(H2,18,20).
What are the key properties of methyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate has a molecular weight of 319.72 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate is sourced from PubChem (CID 90417756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).