4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile

C17H10Cl2N4O2 — CID 11462934

IUPAC4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccnc(C#N)c2)nc1Cl
InChIInChI=1S/C17H10Cl2N4O2/c1-24-12-4-2-3-5-13(12)25-14-15(18)22-17(23-16(14)19)10-6-7-21-11(8-10)9-20/h2-8H,1H3
InChIKeyNXKZPJDIVDWGGF-UHFFFAOYSA-N
MW373.20 g/mol
LogP4.52
Rot. Bonds4

About 4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile

4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile (PubChem CID 11462934) has the molecular formula C17H10Cl2N4O2 and a molecular weight of 373.20 g/mol. Its IUPAC name is 4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile
PubChem CID11462934
Molecular FormulaC17H10Cl2N4O2
Molecular Weight373.20 g/mol
Exact Mass372.02
IUPAC Name4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccnc(C#N)c2)nc1Cl
InChIInChI=1S/C17H10Cl2N4O2/c1-24-12-4-2-3-5-13(12)25-14-15(18)22-17(23-16(14)19)10-6-7-21-11(8-10)9-20/h2-8H,1H3
InChIKeyNXKZPJDIVDWGGF-UHFFFAOYSA-N
XLogP4.52
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile (CID 11462934) is 4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile is COc1ccccc1Oc1c(Cl)nc(-c2ccnc(C#N)c2)nc1Cl.
What is the InChIKey of 4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile?
The InChIKey is NXKZPJDIVDWGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4O2/c1-24-12-4-2-3-5-13(12)25-14-15(18)22-17(23-16(14)19)10-6-7-21-11(8-10)9-20/h2-8H,1H3.
What are the key properties of 4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile?
4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile has a molecular weight of 373.20 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-dichloro-5-(2-methoxyphenoxy)pyrimidin-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 11462934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).