methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate

C16H13F2N3O2 — CID 126609387

IUPACmethyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1C
InChIInChI=1S/C16H13F2N3O2/c1-7-12(19)11(18)15(21-13(7)16(22)23-2)9-4-3-8-5-6-20-14(8)10(9)17/h3-6,20H,1-2H3,(H2,19,21)
InChIKeyVUKPIAXIPKBWNO-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.19
Rot. Bonds2

About methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate

methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate (PubChem CID 126609387) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate
PubChem CID126609387
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Namemethyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1C
InChIInChI=1S/C16H13F2N3O2/c1-7-12(19)11(18)15(21-13(7)16(22)23-2)9-4-3-8-5-6-20-14(8)10(9)17/h3-6,20H,1-2H3,(H2,19,21)
InChIKeyVUKPIAXIPKBWNO-UHFFFAOYSA-N
XLogP3.19
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate (CID 126609387) is methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1C.
What is the InChIKey of methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate?
The InChIKey is VUKPIAXIPKBWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-7-12(19)11(18)15(21-13(7)16(22)23-2)9-4-3-8-5-6-20-14(8)10(9)17/h3-6,20H,1-2H3,(H2,19,21).
What are the key properties of methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate?
methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate has a molecular weight of 317.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate is sourced from PubChem (CID 126609387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).