methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate

C13H11ClFN3O2 — CID 90441369

IUPACmethyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)nc2)c(F)c(N)c1Cl
InChIInChI=1S/C13H11ClFN3O2/c1-6-3-4-7(5-17-6)11-9(15)10(16)8(14)12(18-11)13(19)20-2/h3-5H,1-2H3,(H2,16,18)
InChIKeyJMIMDFRBMHQLPF-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.61
Rot. Bonds2

About methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate (PubChem CID 90441369) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate
PubChem CID90441369
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Namemethyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)nc2)c(F)c(N)c1Cl
InChIInChI=1S/C13H11ClFN3O2/c1-6-3-4-7(5-17-6)11-9(15)10(16)8(14)12(18-11)13(19)20-2/h3-5H,1-2H3,(H2,16,18)
InChIKeyJMIMDFRBMHQLPF-UHFFFAOYSA-N
XLogP2.61
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate (CID 90441369) is methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C)nc2)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate?
The InChIKey is JMIMDFRBMHQLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c1-6-3-4-7(5-17-6)11-9(15)10(16)8(14)12(18-11)13(19)20-2/h3-5H,1-2H3,(H2,16,18).
What are the key properties of methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-5-fluoro-6-(6-methyl-3-pyridinyl)pyridine-2-carboxylate has a molecular weight of 295.70 g/mol, XLogP of 2.61, 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-(6-methyl-3-pyridinyl)pyridine-2-carboxylate is sourced from PubChem (CID 90441369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).