2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile

C10H10Cl2N2O — CID 86241914

IUPAC2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile
SMILESCc1c(Cl)c(OC(C)C)nc(Cl)c1C#N
InChIInChI=1S/C10H10Cl2N2O/c1-5(2)15-10-8(11)6(3)7(4-13)9(12)14-10/h5H,1-3H3
InChIKeyXYOFNBMNGPNQKP-UHFFFAOYSA-N
MW245.11 g/mol
LogP3.36
Rot. Bonds2

About 2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile

2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile (PubChem CID 86241914) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile
PubChem CID86241914
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile
SMILESCc1c(Cl)c(OC(C)C)nc(Cl)c1C#N
InChIInChI=1S/C10H10Cl2N2O/c1-5(2)15-10-8(11)6(3)7(4-13)9(12)14-10/h5H,1-3H3
InChIKeyXYOFNBMNGPNQKP-UHFFFAOYSA-N
XLogP3.36
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile?
The IUPAC name of 2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile (CID 86241914) is 2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile.
What is the SMILES notation for 2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile?
The canonical SMILES for 2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile is Cc1c(Cl)c(OC(C)C)nc(Cl)c1C#N.
What is the InChIKey of 2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile?
The InChIKey is XYOFNBMNGPNQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c1-5(2)15-10-8(11)6(3)7(4-13)9(12)14-10/h5H,1-3H3.
What are the key properties of 2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile?
2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile has a molecular weight of 245.11 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 86241914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).