2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile

C12H13ClN2O — CID 106201384

IUPAC2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(OCCC2CCC2)c1
InChIInChI=1S/C12H13ClN2O/c13-11-6-10(8-14)7-12(15-11)16-5-4-9-2-1-3-9/h6-7,9H,1-5H2
InChIKeyFZBNLZZHYRHHRC-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.18
Rot. Bonds4

About 2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile

2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile (PubChem CID 106201384) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile
PubChem CID106201384
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(OCCC2CCC2)c1
InChIInChI=1S/C12H13ClN2O/c13-11-6-10(8-14)7-12(15-11)16-5-4-9-2-1-3-9/h6-7,9H,1-5H2
InChIKeyFZBNLZZHYRHHRC-UHFFFAOYSA-N
XLogP3.18
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.18
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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Related Compounds

2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine
CID 106201462
2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 83073628
2-chloro-6-heptoxypyridine-4-carbonitrile
CID 83073210
2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile
CID 83073912
2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine
CID 106201441
2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile
CID 83073499
3-bromo-5-(2-cyclobutylethoxy)benzonitrile
CID 106201558
2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine
CID 114157440
2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile
CID 83073911
4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine
CID 106203574
4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine
CID 106201356
2-(2-piperidin-4-ylethoxy)pyridine-4-carbonitrile;hydrochloride
CID 71643682

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile (CID 106201384) is 2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(OCCC2CCC2)c1.
What is the InChIKey of 2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile?
The InChIKey is FZBNLZZHYRHHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-11-6-10(8-14)7-12(15-11)16-5-4-9-2-1-3-9/h6-7,9H,1-5H2.
What are the key properties of 2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile?
2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile has a molecular weight of 236.70 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 106201384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).