4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile

C17H11ClN4O — CID 18525977

IUPAC4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(-c3ccccn3)nc(Cl)c2C#N)cc1
InChIInChI=1S/C17H11ClN4O/c1-23-12-7-5-11(6-8-12)15-13(10-19)16(18)22-17(21-15)14-4-2-3-9-20-14/h2-9H,1H3
InChIKeyFICABWQVBPUWMT-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.74
Rot. Bonds3

About 4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile

4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile (PubChem CID 18525977) has the molecular formula C17H11ClN4O and a molecular weight of 322.76 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile
PubChem CID18525977
Molecular FormulaC17H11ClN4O
Molecular Weight322.76 g/mol
Exact Mass322.06
IUPAC Name4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(-c3ccccn3)nc(Cl)c2C#N)cc1
InChIInChI=1S/C17H11ClN4O/c1-23-12-7-5-11(6-8-12)15-13(10-19)16(18)22-17(21-15)14-4-2-3-9-20-14/h2-9H,1H3
InChIKeyFICABWQVBPUWMT-UHFFFAOYSA-N
XLogP3.74
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile (CID 18525977) is 4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile is COc1ccc(-c2nc(-c3ccccn3)nc(Cl)c2C#N)cc1.
What is the InChIKey of 4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile?
The InChIKey is FICABWQVBPUWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O/c1-23-12-7-5-11(6-8-12)15-13(10-19)16(18)22-17(21-15)14-4-2-3-9-20-14/h2-9H,1H3.
What are the key properties of 4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile?
4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile has a molecular weight of 322.76 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 18525977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).