6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid

C6H3ClF3NO2S — CID 165454924

IUPAC6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid
SMILESO=S(O)c1cnc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C6H3ClF3NO2S/c7-5-4(6(8,9)10)1-3(2-11-5)14(12)13/h1-2H,(H,12,13)
InChIKeyWPHAHXBGKLTCQJ-UHFFFAOYSA-N
MW245.61 g/mol
LogP2.33
Rot. Bonds1

About 6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid

6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid (PubChem CID 165454924) has the molecular formula C6H3ClF3NO2S and a molecular weight of 245.61 g/mol. Its IUPAC name is 6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid.

Molecular Properties

Compound Name6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid
PubChem CID165454924
Molecular FormulaC6H3ClF3NO2S
Molecular Weight245.61 g/mol
Exact Mass244.95
IUPAC Name6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid
SMILESO=S(O)c1cnc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C6H3ClF3NO2S/c7-5-4(6(8,9)10)1-3(2-11-5)14(12)13/h1-2H,(H,12,13)
InChIKeyWPHAHXBGKLTCQJ-UHFFFAOYSA-N
XLogP2.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.61
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-methoxycarbonylpyridine-3-sulfinic acid
CID 165449291
6-(trifluoromethyl)pyridine-3-sulfinic acid
CID 66936129
3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine
CID 168867581
4-chloro-2-(trifluoromethyl)benzenesulfinic acid
CID 114287110
1,4-dichloroisoquinoline-7-sulfinic acid
CID 54429071
2-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]propanamide
CID 126822944
ethyl 3-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171866757
3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3,3-difluoropropanoic acid
CID 162738258
4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile
CID 170800313
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
CID 134122682
6-chloro-5-(2,2,2-trifluoro-1,1-dihydroxyethyl)pyridine-3-carbonitrile
CID 146162302
tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate
CID 165144141

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid?
The IUPAC name of 6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid (CID 165454924) is 6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid.
What is the SMILES notation for 6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid?
The canonical SMILES for 6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid is O=S(O)c1cnc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid?
The InChIKey is WPHAHXBGKLTCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO2S/c7-5-4(6(8,9)10)1-3(2-11-5)14(12)13/h1-2H,(H,12,13).
What are the key properties of 6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid?
6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid has a molecular weight of 245.61 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(trifluoromethyl)pyridine-3-sulfinic acid is sourced from PubChem (CID 165454924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).