5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile

C17H11BrN4O2 — CID 67191363

IUPAC5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(Oc2nc(-c3cncc(C#N)c3)ncc2Br)cc1
InChIInChI=1S/C17H11BrN4O2/c1-23-13-2-4-14(5-3-13)24-17-15(18)10-21-16(22-17)12-6-11(7-19)8-20-9-12/h2-6,8-10H,1H3
InChIKeyVERCYVGWWQLJBS-UHFFFAOYSA-N
MW383.21 g/mol
LogP3.97
Rot. Bonds4

About 5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile

5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile (PubChem CID 67191363) has the molecular formula C17H11BrN4O2 and a molecular weight of 383.21 g/mol. Its IUPAC name is 5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile
PubChem CID67191363
Molecular FormulaC17H11BrN4O2
Molecular Weight383.21 g/mol
Exact Mass382.01
IUPAC Name5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(Oc2nc(-c3cncc(C#N)c3)ncc2Br)cc1
InChIInChI=1S/C17H11BrN4O2/c1-23-13-2-4-14(5-3-13)24-17-15(18)10-21-16(22-17)12-6-11(7-19)8-20-9-12/h2-6,8-10H,1H3
InChIKeyVERCYVGWWQLJBS-UHFFFAOYSA-N
XLogP3.97
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile (CID 67191363) is 5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile is COc1ccc(Oc2nc(-c3cncc(C#N)c3)ncc2Br)cc1.
What is the InChIKey of 5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile?
The InChIKey is VERCYVGWWQLJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4O2/c1-23-13-2-4-14(5-3-13)24-17-15(18)10-21-16(22-17)12-6-11(7-19)8-20-9-12/h2-6,8-10H,1H3.
What are the key properties of 5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile?
5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile has a molecular weight of 383.21 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-4-(4-methoxyphenoxy)pyrimidin-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 67191363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).