methyl 2-chloro-4-methoxypyrimidine-5-carboxylate

C7H7ClN2O3 — CID 71741355

IUPACmethyl 2-chloro-4-methoxypyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(Cl)nc1OC
InChIInChI=1S/C7H7ClN2O3/c1-12-5-4(6(11)13-2)3-9-7(8)10-5/h3H,1-2H3
InChIKeyJZOZOEGEJSRKAD-UHFFFAOYSA-N
MW202.60 g/mol
LogP0.93
Rot. Bonds2

About methyl 2-chloro-4-methoxypyrimidine-5-carboxylate

methyl 2-chloro-4-methoxypyrimidine-5-carboxylate (PubChem CID 71741355) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is methyl 2-chloro-4-methoxypyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-methoxypyrimidine-5-carboxylate
PubChem CID71741355
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC Namemethyl 2-chloro-4-methoxypyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(Cl)nc1OC
InChIInChI=1S/C7H7ClN2O3/c1-12-5-4(6(11)13-2)3-9-7(8)10-5/h3H,1-2H3
InChIKeyJZOZOEGEJSRKAD-UHFFFAOYSA-N
XLogP0.93
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-4-methylsulfanylpyrimidine-5-carboxylate
CID 89398355
methyl 2-chloro-4-(cyclobutylamino)pyrimidine-5-carboxylate
CID 135200676
2-chloro-N-(2-chloro-6-methoxyphenyl)-4-methoxypyrimidine-5-carboxamide
CID 171834988
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
2-chloro-4-methoxy-5-methylpyrimidine
CID 11051933
methyl 4,6-dichloro-5-phosphanylpyridine-3-carboxylate
CID 178139043
2-chloro-4-methoxy-5-methylsulfonylpyrimidine
CID 58333563
methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
CID 154578056
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
methyl 4-chloro-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169044
N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide
CID 170830052
methyl 2-chloro-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
CID 118607795

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-methoxypyrimidine-5-carboxylate?
The IUPAC name of methyl 2-chloro-4-methoxypyrimidine-5-carboxylate (CID 71741355) is methyl 2-chloro-4-methoxypyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-methoxypyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-chloro-4-methoxypyrimidine-5-carboxylate is COC(=O)c1cnc(Cl)nc1OC.
What is the InChIKey of methyl 2-chloro-4-methoxypyrimidine-5-carboxylate?
The InChIKey is JZOZOEGEJSRKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c1-12-5-4(6(11)13-2)3-9-7(8)10-5/h3H,1-2H3.
What are the key properties of methyl 2-chloro-4-methoxypyrimidine-5-carboxylate?
methyl 2-chloro-4-methoxypyrimidine-5-carboxylate has a molecular weight of 202.60 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-methoxypyrimidine-5-carboxylate is sourced from PubChem (CID 71741355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).