methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate

C15H14Cl2FN3O2 — CID 68600303

IUPACmethyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc(N(C)C)c(Cl)cc2F)cc(N)c1Cl
InChIInChI=1S/C15H14Cl2FN3O2/c1-21(2)12-4-7(9(18)5-8(12)16)11-6-10(19)13(17)14(20-11)15(22)23-3/h4-6H,1-3H3,(H2,19,20)
InChIKeyUQPYDDMVEKUDMR-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.63
Rot. Bonds3

About methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate (PubChem CID 68600303) has the molecular formula C15H14Cl2FN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate
PubChem CID68600303
Molecular FormulaC15H14Cl2FN3O2
Molecular Weight358.20 g/mol
Exact Mass357.04
IUPAC Namemethyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc(N(C)C)c(Cl)cc2F)cc(N)c1Cl
InChIInChI=1S/C15H14Cl2FN3O2/c1-21(2)12-4-7(9(18)5-8(12)16)11-6-10(19)13(17)14(20-11)15(22)23-3/h4-6H,1-3H3,(H2,19,20)
InChIKeyUQPYDDMVEKUDMR-UHFFFAOYSA-N
XLogP3.63
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.63
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-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate (CID 68600303) is methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2cc(N(C)C)c(Cl)cc2F)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate?
The InChIKey is UQPYDDMVEKUDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN3O2/c1-21(2)12-4-7(9(18)5-8(12)16)11-6-10(19)13(17)14(20-11)15(22)23-3/h4-6H,1-3H3,(H2,19,20).
What are the key properties of methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate has a molecular weight of 358.20 g/mol, XLogP of 3.63, 3 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-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate is sourced from PubChem (CID 68600303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).