2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile

C9H5ClN2O — CID 83073912

IUPAC2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile
SMILESC#CCOc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C9H5ClN2O/c1-2-3-13-9-5-7(6-11)4-8(10)12-9/h1,4-5H,3H2
InChIKeyPRFMGQNLNMRSOZ-UHFFFAOYSA-N
MW192.60 g/mol
LogP1.62
Rot. Bonds2

About 2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile

2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile (PubChem CID 83073912) has the molecular formula C9H5ClN2O and a molecular weight of 192.60 g/mol. Its IUPAC name is 2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile
PubChem CID83073912
Molecular FormulaC9H5ClN2O
Molecular Weight192.60 g/mol
Exact Mass192.01
IUPAC Name2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile
SMILESC#CCOc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C9H5ClN2O/c1-2-3-13-9-5-7(6-11)4-8(10)12-9/h1,4-5H,3H2
InChIKeyPRFMGQNLNMRSOZ-UHFFFAOYSA-N
XLogP1.62
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 83073628
2-chloro-6-heptoxypyridine-4-carbonitrile
CID 83073210
2-chloro-6-methoxypyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile
CID 159564472
2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile
CID 83073911
2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile
CID 106201384
sodium;2-chloro-6-methoxypyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methanolate
CID 162232377
2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile
CID 83073226
2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile
CID 83072758
2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile
CID 83073499
2-chloro-6-iodopyridine-4-carbonitrile
CID 89003814
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile
CID 83074306
2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile
CID 107664549

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile (CID 83073912) is 2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile is C#CCOc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile?
The InChIKey is PRFMGQNLNMRSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O/c1-2-3-13-9-5-7(6-11)4-8(10)12-9/h1,4-5H,3H2.
What are the key properties of 2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile?
2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile has a molecular weight of 192.60 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile is sourced from PubChem (CID 83073912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).