2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine

C16H12ClN3O2 — CID 3656433

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cnc(Oc3cncc(Cl)c3)nc2)cc1
InChIInChI=1S/C16H12ClN3O2/c1-21-14-4-2-11(3-5-14)12-7-19-16(20-8-12)22-15-6-13(17)9-18-10-15/h2-10H,1H3
InChIKeyYXEXRABWOCQQFD-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.99
Rot. Bonds4

About 2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine

2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine (PubChem CID 3656433) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine
PubChem CID3656433
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cnc(Oc3cncc(Cl)c3)nc2)cc1
InChIInChI=1S/C16H12ClN3O2/c1-21-14-4-2-11(3-5-14)12-7-19-16(20-8-12)22-15-6-13(17)9-18-10-15/h2-10H,1H3
InChIKeyYXEXRABWOCQQFD-UHFFFAOYSA-N
XLogP3.99
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
4-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxybenzonitrile
CID 4226629
3-[(5-chloro-3-pyridinyl)oxy]-6-methoxypyridazine
CID 134124576
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
6-[(5-chloro-3-pyridinyl)oxy]-2-methoxypyridin-3-amine
CID 64602121
4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline
CID 64602118
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
5-chloro-2-(3-methoxyphenoxy)pyrimidine
CID 71402141
4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878172
4-chloro-6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-1,3,5-triazin-2-amine
CID 80878499
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341
5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116976946

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine (CID 3656433) is 2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine is COc1ccc(-c2cnc(Oc3cncc(Cl)c3)nc2)cc1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine?
The InChIKey is YXEXRABWOCQQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-21-14-4-2-11(3-5-14)12-7-19-16(20-8-12)22-15-6-13(17)9-18-10-15/h2-10H,1H3.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine?
2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine has a molecular weight of 313.74 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-5-(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 3656433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).