(5-fluoro-3-pyridinyl) carbonochloridate

C6H3ClFNO2 — CID 130700465

IUPAC(5-fluoro-3-pyridinyl) carbonochloridate
SMILESO=C(Cl)Oc1cncc(F)c1
InChIInChI=1S/C6H3ClFNO2/c7-6(10)11-5-1-4(8)2-9-3-5/h1-3H
InChIKeyIVEWHGPEZAATAP-UHFFFAOYSA-N
MW175.55 g/mol
LogP1.96
Rot. Bonds1

About (5-fluoro-3-pyridinyl) carbonochloridate

(5-fluoro-3-pyridinyl) carbonochloridate (PubChem CID 130700465) has the molecular formula C6H3ClFNO2 and a molecular weight of 175.55 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl) carbonochloridate.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl) carbonochloridate
PubChem CID130700465
Molecular FormulaC6H3ClFNO2
Molecular Weight175.55 g/mol
Exact Mass174.98
IUPAC Name(5-fluoro-3-pyridinyl) carbonochloridate
SMILESO=C(Cl)Oc1cncc(F)c1
InChIInChI=1S/C6H3ClFNO2/c7-6(10)11-5-1-4(8)2-9-3-5/h1-3H
InChIKeyIVEWHGPEZAATAP-UHFFFAOYSA-N
XLogP1.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.55
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chloro 5-fluoropyridine-3-carboxylate
CID 174465391
3-(3-chlorocyclobutyl)oxy-5-fluoropyridine
CID 130708673
3-fluoro-5-(trifluoromethoxy)pyridine
CID 91532712
2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine
CID 131122602
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate
CID 23213740
sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate
CID 158952287
3-[(5-fluoro-3-pyridinyl)oxymethyl]cyclobutan-1-amine
CID 164662299
3-fluoro-5-[3-fluoro-5-[4-[3-fluoro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]phenyl]phenoxy]pyridine
CID 170362845
4-chloro-2-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazole
CID 130621219
3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride
CID 165492974
3-chloro-5-fluoropyridine;hydrochloride
CID 133097839

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl) carbonochloridate?
The IUPAC name of (5-fluoro-3-pyridinyl) carbonochloridate (CID 130700465) is (5-fluoro-3-pyridinyl) carbonochloridate.
What is the SMILES notation for (5-fluoro-3-pyridinyl) carbonochloridate?
The canonical SMILES for (5-fluoro-3-pyridinyl) carbonochloridate is O=C(Cl)Oc1cncc(F)c1.
What is the InChIKey of (5-fluoro-3-pyridinyl) carbonochloridate?
The InChIKey is IVEWHGPEZAATAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFNO2/c7-6(10)11-5-1-4(8)2-9-3-5/h1-3H.
What are the key properties of (5-fluoro-3-pyridinyl) carbonochloridate?
(5-fluoro-3-pyridinyl) carbonochloridate has a molecular weight of 175.55 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl) carbonochloridate is sourced from PubChem (CID 130700465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).