5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride

C9H6ClF4NO2 — CID 121268116

IUPAC5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C9H6ClF4NO2/c10-7(16)6-2-1-5(3-15-6)17-4-9(13,14)8(11)12/h1-3,8H,4H2
InChIKeyZKSRBXYNQVEQQZ-UHFFFAOYSA-N
MW271.60 g/mol
LogP2.74
Rot. Bonds5

About 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride

5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride (PubChem CID 121268116) has the molecular formula C9H6ClF4NO2 and a molecular weight of 271.60 g/mol. Its IUPAC name is 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride
PubChem CID121268116
Molecular FormulaC9H6ClF4NO2
Molecular Weight271.60 g/mol
Exact Mass271.00
IUPAC Name5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C9H6ClF4NO2/c10-7(16)6-2-1-5(3-15-6)17-4-9(13,14)8(11)12/h1-3,8H,4H2
InChIKeyZKSRBXYNQVEQQZ-UHFFFAOYSA-N
XLogP2.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.60
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone
CID 83119686
4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride
CID 12644770
(Z)-2-ethylsulfanyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethenamine
CID 129093045
N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride
CID 144987991
(2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 150510109
N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine
CID 112584809
6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde
CID 10779540
2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride
CID 22904471
(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride
CID 86751397
N-[3-(2-amino-4a-methyl-5,7-dihydro-4H-furo[3,4-d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxamide
CID 123170904
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
N-[5-[(1S,5S)-3-amino-1-(fluoromethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-6-fluoro-3-pyridinyl]-5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxamide
CID 126488177

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride?
The IUPAC name of 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride (CID 121268116) is 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride.
What is the SMILES notation for 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride?
The canonical SMILES for 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride is O=C(Cl)c1ccc(OCC(F)(F)C(F)F)cn1.
What is the InChIKey of 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride?
The InChIKey is ZKSRBXYNQVEQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF4NO2/c10-7(16)6-2-1-5(3-15-6)17-4-9(13,14)8(11)12/h1-3,8H,4H2.
What are the key properties of 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride?
5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride has a molecular weight of 271.60 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride is sourced from PubChem (CID 121268116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).