2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile

C9H5ClF4N2O — CID 83073911

IUPAC2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C9H5ClF4N2O/c10-6-1-5(3-15)2-7(16-6)17-4-9(13,14)8(11)12/h1-2,8H,4H2
InChIKeyPMMJCGLQNLWBFS-UHFFFAOYSA-N
MW268.60 g/mol
LogP2.89
Rot. Bonds4

About 2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile

2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile (PubChem CID 83073911) has the molecular formula C9H5ClF4N2O and a molecular weight of 268.60 g/mol. Its IUPAC name is 2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile
PubChem CID83073911
Molecular FormulaC9H5ClF4N2O
Molecular Weight268.60 g/mol
Exact Mass268.00
IUPAC Name2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C9H5ClF4N2O/c10-6-1-5(3-15)2-7(16-6)17-4-9(13,14)8(11)12/h1-2,8H,4H2
InChIKeyPMMJCGLQNLWBFS-UHFFFAOYSA-N
XLogP2.89
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.60
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile
CID 29004773
4-chloro-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine
CID 80949502
2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile
CID 83073912
2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 83073628
2-chloro-6-heptoxypyridine-4-carbonitrile
CID 83073210
6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile
CID 64594578
2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile
CID 106201384
2-chloro-6-methoxypyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile
CID 159564472
2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine
CID 62338130
4-(2,2,3,3-tetrafluoropropoxy)benzene-1,2-dicarbonitrile
CID 4197247
2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 83072753
sodium;2-chloro-6-methoxypyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methanolate
CID 162232377

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile (CID 83073911) is 2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(OCC(F)(F)C(F)F)c1.
What is the InChIKey of 2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile?
The InChIKey is PMMJCGLQNLWBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF4N2O/c10-6-1-5(3-15)2-7(16-6)17-4-9(13,14)8(11)12/h1-2,8H,4H2.
What are the key properties of 2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile?
2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile has a molecular weight of 268.60 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 83073911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).