3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile

C9H9ClN2O2 — CID 107058776

IUPAC3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
SMILESCOCCOc1nccc(C#N)c1Cl
InChIInChI=1S/C9H9ClN2O2/c1-13-4-5-14-9-8(10)7(6-11)2-3-12-9/h2-3H,4-5H2,1H3
InChIKeyQFLIUZLRTFWYEA-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.63
Rot. Bonds4

About 3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile

3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile (PubChem CID 107058776) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
PubChem CID107058776
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
SMILESCOCCOc1nccc(C#N)c1Cl
InChIInChI=1S/C9H9ClN2O2/c1-13-4-5-14-9-8(10)7(6-11)2-3-12-9/h2-3H,4-5H2,1H3
InChIKeyQFLIUZLRTFWYEA-UHFFFAOYSA-N
XLogP1.63
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(2-hydroxyethoxy)pyridine-4-carbonitrile
CID 107058885
3-chloro-2-(3-methoxy-3-methylbutoxy)pyridine-4-carbonitrile
CID 107059221
2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
CID 107061653
3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 107059128
3-chloro-2-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
CID 107059108
3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile
CID 107058917
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
2-(2-amino-2-methylbutoxy)-3-chloropyridine-4-carbonitrile
CID 107061678
3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile
CID 107058766
3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762
3-chloro-2-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile
CID 107061650
3-chloro-2-(furan-2-ylmethoxy)pyridine-4-carbonitrile
CID 107058734

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile (CID 107058776) is 3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile is COCCOc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile?
The InChIKey is QFLIUZLRTFWYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-13-4-5-14-9-8(10)7(6-11)2-3-12-9/h2-3H,4-5H2,1H3.
What are the key properties of 3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile?
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile has a molecular weight of 212.64 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 107058776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).