methyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate

C12H9ClFN3O2 — CID 122462565

IUPACmethyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cnc(CF)nc2)ncc1Cl
InChIInChI=1S/C12H9ClFN3O2/c1-19-12(18)8-2-10(15-6-9(8)13)7-4-16-11(3-14)17-5-7/h2,4-6H,3H2,1H3
InChIKeyVEOFZETZEJKTGO-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.45
Rot. Bonds3

About methyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate

methyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate (PubChem CID 122462565) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is methyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate
PubChem CID122462565
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC Namemethyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cnc(CF)nc2)ncc1Cl
InChIInChI=1S/C12H9ClFN3O2/c1-19-12(18)8-2-10(15-6-9(8)13)7-4-16-11(3-14)17-5-7/h2,4-6H,3H2,1H3
InChIKeyVEOFZETZEJKTGO-UHFFFAOYSA-N
XLogP2.45
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate (CID 122462565) is methyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate is COC(=O)c1cc(-c2cnc(CF)nc2)ncc1Cl.
What is the InChIKey of methyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate?
The InChIKey is VEOFZETZEJKTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c1-19-12(18)8-2-10(15-6-9(8)13)7-4-16-11(3-14)17-5-7/h2,4-6H,3H2,1H3.
What are the key properties of methyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate?
methyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate has a molecular weight of 281.67 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[2-(fluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate is sourced from PubChem (CID 122462565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).