methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate

C11H7Cl2N3O2 — CID 131839676

IUPACmethyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2nc(Cl)cc(Cl)n2)c1
InChIInChI=1S/C11H7Cl2N3O2/c1-18-11(17)6-2-3-14-7(4-6)10-15-8(12)5-9(13)16-10/h2-5H,1H3
InChIKeyULWOLTMHBRTUOP-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.63
Rot. Bonds2

About methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate

methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate (PubChem CID 131839676) has the molecular formula C11H7Cl2N3O2 and a molecular weight of 284.10 g/mol. Its IUPAC name is methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate
PubChem CID131839676
Molecular FormulaC11H7Cl2N3O2
Molecular Weight284.10 g/mol
Exact Mass282.99
IUPAC Namemethyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2nc(Cl)cc(Cl)n2)c1
InChIInChI=1S/C11H7Cl2N3O2/c1-18-11(17)6-2-3-14-7(4-6)10-15-8(12)5-9(13)16-10/h2-5H,1H3
InChIKeyULWOLTMHBRTUOP-UHFFFAOYSA-N
XLogP2.63
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636687
methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride
CID 66732376
methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate
CID 66731831
methyl 2-anthracen-9-ylpyridine-4-carboxylate
CID 170699515
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381
methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate
CID 170171280
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate
CID 4736758
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
methyl 3-[(4,6-dichloropyrimidin-2-yl)amino]sulfanylbenzoate
CID 163243688
methyl 2-chloro-6-(4-methoxyphenyl)pyridine-4-carboxylate
CID 91873021

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate (CID 131839676) is methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate is COC(=O)c1ccnc(-c2nc(Cl)cc(Cl)n2)c1.
What is the InChIKey of methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate?
The InChIKey is ULWOLTMHBRTUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O2/c1-18-11(17)6-2-3-14-7(4-6)10-15-8(12)5-9(13)16-10/h2-5H,1H3.
What are the key properties of methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate?
methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate has a molecular weight of 284.10 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate is sourced from PubChem (CID 131839676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).