methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate

C14H12Cl2FN3O2 — CID 68598377

IUPACmethyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
SMILESCNc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)OC)n2)c1F
InChIInChI=1S/C14H12Cl2FN3O2/c1-19-12-7(15)4-3-6(11(12)17)9-5-8(18)10(16)13(20-9)14(21)22-2/h3-5,19H,1-2H3,(H2,18,20)
InChIKeyFEWWRSRLPRWIGJ-UHFFFAOYSA-N
MW344.17 g/mol
LogP3.61
Rot. Bonds3

About methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate (PubChem CID 68598377) has the molecular formula C14H12Cl2FN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
PubChem CID68598377
Molecular FormulaC14H12Cl2FN3O2
Molecular Weight344.17 g/mol
Exact Mass343.03
IUPAC Namemethyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
SMILESCNc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)OC)n2)c1F
InChIInChI=1S/C14H12Cl2FN3O2/c1-19-12-7(15)4-3-6(11(12)17)9-5-8(18)10(16)13(20-9)14(21)22-2/h3-5,19H,1-2H3,(H2,18,20)
InChIKeyFEWWRSRLPRWIGJ-UHFFFAOYSA-N
XLogP3.61
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate (CID 68598377) is methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate is CNc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)OC)n2)c1F.
What is the InChIKey of methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate?
The InChIKey is FEWWRSRLPRWIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN3O2/c1-19-12-7(15)4-3-6(11(12)17)9-5-8(18)10(16)13(20-9)14(21)22-2/h3-5,19H,1-2H3,(H2,18,20).
What are the key properties of methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate has a molecular weight of 344.17 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 68598377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).