methyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate

C14H13ClFN3O2 — CID 123818311

IUPACmethyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate
SMILESCCc1ccc(-c2nc(C(=O)OC)c(Cl)c(N)c2F)cn1
InChIInChI=1S/C14H13ClFN3O2/c1-3-8-5-4-7(6-18-8)12-10(16)11(17)9(15)13(19-12)14(20)21-2/h4-6H,3H2,1-2H3,(H2,17,19)
InChIKeyORMLFKGPLXUOBW-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.87
Rot. Bonds3

About methyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate (PubChem CID 123818311) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate
PubChem CID123818311
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Namemethyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate
SMILESCCc1ccc(-c2nc(C(=O)OC)c(Cl)c(N)c2F)cn1
InChIInChI=1S/C14H13ClFN3O2/c1-3-8-5-4-7(6-18-8)12-10(16)11(17)9(15)13(19-12)14(20)21-2/h4-6H,3H2,1-2H3,(H2,17,19)
InChIKeyORMLFKGPLXUOBW-UHFFFAOYSA-N
XLogP2.87
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.87
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-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate (CID 123818311) is methyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate is CCc1ccc(-c2nc(C(=O)OC)c(Cl)c(N)c2F)cn1.
What is the InChIKey of methyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate?
The InChIKey is ORMLFKGPLXUOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-3-8-5-4-7(6-18-8)12-10(16)11(17)9(15)13(19-12)14(20)21-2/h4-6H,3H2,1-2H3,(H2,17,19).
What are the key properties of methyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate has a molecular weight of 309.73 g/mol, XLogP of 2.87, 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-(6-ethyl-3-pyridinyl)-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 123818311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).