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

C15H10Cl2FN3O2 — CID 90450982

IUPACmethyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(Cl)c(N)c1Cl
InChIInChI=1S/C15H10Cl2FN3O2/c1-23-15(22)14-9(17)11(19)8(16)13(21-14)7-3-2-6-4-5-20-12(6)10(7)18/h2-5,20H,1H3,(H2,19,21)
InChIKeyNLSYBWCTLTVCTI-UHFFFAOYSA-N
MW354.17 g/mol
LogP4.04
Rot. Bonds2

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

methyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate (PubChem CID 90450982) has the molecular formula C15H10Cl2FN3O2 and a molecular weight of 354.17 g/mol. Its IUPAC name is methyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
PubChem CID90450982
Molecular FormulaC15H10Cl2FN3O2
Molecular Weight354.17 g/mol
Exact Mass353.01
IUPAC Namemethyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(Cl)c(N)c1Cl
InChIInChI=1S/C15H10Cl2FN3O2/c1-23-15(22)14-9(17)11(19)8(16)13(21-14)7-3-2-6-4-5-20-12(6)10(7)18/h2-5,20H,1H3,(H2,19,21)
InChIKeyNLSYBWCTLTVCTI-UHFFFAOYSA-N
XLogP4.04
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate (CID 90450982) is methyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(Cl)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
The InChIKey is NLSYBWCTLTVCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3O2/c1-23-15(22)14-9(17)11(19)8(16)13(21-14)7-3-2-6-4-5-20-12(6)10(7)18/h2-5,20H,1H3,(H2,19,21).
What are the key properties of methyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate?
methyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate has a molecular weight of 354.17 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3,5-dichloro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate is sourced from PubChem (CID 90450982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).