2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile

C13H8Cl2N2O2 — CID 1484358

IUPAC2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(Oc2cc(Cl)cc(Cl)c2)c1C#N
InChIInChI=1S/C13H8Cl2N2O2/c1-18-12-2-3-17-13(11(12)7-16)19-10-5-8(14)4-9(15)6-10/h2-6H,1H3
InChIKeyLDLPRBUGIKYJPN-UHFFFAOYSA-N
MW295.13 g/mol
LogP4.06
Rot. Bonds3

About 2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile

2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile (PubChem CID 1484358) has the molecular formula C13H8Cl2N2O2 and a molecular weight of 295.13 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile
PubChem CID1484358
Molecular FormulaC13H8Cl2N2O2
Molecular Weight295.13 g/mol
Exact Mass294.00
IUPAC Name2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(Oc2cc(Cl)cc(Cl)c2)c1C#N
InChIInChI=1S/C13H8Cl2N2O2/c1-18-12-2-3-17-13(11(12)7-16)19-10-5-8(14)4-9(15)6-10/h2-6H,1H3
InChIKeyLDLPRBUGIKYJPN-UHFFFAOYSA-N
XLogP4.06
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile (CID 1484358) is 2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile is COc1ccnc(Oc2cc(Cl)cc(Cl)c2)c1C#N.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile?
The InChIKey is LDLPRBUGIKYJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2/c1-18-12-2-3-17-13(11(12)7-16)19-10-5-8(14)4-9(15)6-10/h2-6H,1H3.
What are the key properties of 2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile?
2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile has a molecular weight of 295.13 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 1484358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).