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

C15H12ClFN4O2 — CID 90451069

IUPACmethyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3c(cnn3C)c2)c(F)c(N)c1Cl
InChIInChI=1S/C15H12ClFN4O2/c1-21-9-4-3-7(5-8(9)6-19-21)13-11(17)12(18)10(16)14(20-13)15(22)23-2/h3-6H,1-2H3,(H2,18,20)
InChIKeyZRAMYLUMAJCXDI-UHFFFAOYSA-N
MW334.74 g/mol
LogP2.80
Rot. Bonds2

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

methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate (PubChem CID 90451069) has the molecular formula C15H12ClFN4O2 and a molecular weight of 334.74 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate
PubChem CID90451069
Molecular FormulaC15H12ClFN4O2
Molecular Weight334.74 g/mol
Exact Mass334.06
IUPAC Namemethyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3c(cnn3C)c2)c(F)c(N)c1Cl
InChIInChI=1S/C15H12ClFN4O2/c1-21-9-4-3-7(5-8(9)6-19-21)13-11(17)12(18)10(16)14(20-13)15(22)23-2/h3-6H,1-2H3,(H2,18,20)
InChIKeyZRAMYLUMAJCXDI-UHFFFAOYSA-N
XLogP2.80
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate (CID 90451069) is methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3c(cnn3C)c2)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate?
The InChIKey is ZRAMYLUMAJCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2/c1-21-9-4-3-7(5-8(9)6-19-21)13-11(17)12(18)10(16)14(20-13)15(22)23-2/h3-6H,1-2H3,(H2,18,20).
What are the key properties of methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate has a molecular weight of 334.74 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-5-fluoro-6-(1-methylindazol-5-yl)pyridine-2-carboxylate is sourced from PubChem (CID 90451069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).