3-phosphoroso-2-(trifluoromethyl)pyridine

C6H3F3NOP — CID 174902231

IUPAC3-phosphoroso-2-(trifluoromethyl)pyridine
SMILESO=Pc1cccnc1C(F)(F)F
InChIInChI=1S/C6H3F3NOP/c7-6(8,9)5-4(12-11)2-1-3-10-5/h1-3H
InChIKeyZMSBWCHXUYDFBS-UHFFFAOYSA-N
MW193.06 g/mol
LogP2.02
Rot. Bonds1

About 3-phosphoroso-2-(trifluoromethyl)pyridine

3-phosphoroso-2-(trifluoromethyl)pyridine (PubChem CID 174902231) has the molecular formula C6H3F3NOP and a molecular weight of 193.06 g/mol. Its IUPAC name is 3-phosphoroso-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-phosphoroso-2-(trifluoromethyl)pyridine
PubChem CID174902231
Molecular FormulaC6H3F3NOP
Molecular Weight193.06 g/mol
Exact Mass192.99
IUPAC Name3-phosphoroso-2-(trifluoromethyl)pyridine
SMILESO=Pc1cccnc1C(F)(F)F
InChIInChI=1S/C6H3F3NOP/c7-6(8,9)5-4(12-11)2-1-3-10-5/h1-3H
InChIKeyZMSBWCHXUYDFBS-UHFFFAOYSA-N
XLogP2.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 23225574
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
3-hydroxysulfanyl-2-(trifluoromethyl)pyridine
CID 164906047
3-[2-(trifluoromethyl)-3-pyridinyl]prop-2-enal
CID 169459390
3-pyridin-2-yl-2-(trifluoromethyl)pyridine
CID 68525561
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
3-propyl-2-(trifluoromethyl)pyridine
CID 19881646
1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 55272660
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 170449159
(E)-4-[2-(trifluoromethyl)-3-pyridinyl]but-2-enoic acid
CID 174788468

Frequently Asked Questions

What is the IUPAC name of 3-phosphoroso-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-phosphoroso-2-(trifluoromethyl)pyridine (CID 174902231) is 3-phosphoroso-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-phosphoroso-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-phosphoroso-2-(trifluoromethyl)pyridine is O=Pc1cccnc1C(F)(F)F.
What is the InChIKey of 3-phosphoroso-2-(trifluoromethyl)pyridine?
The InChIKey is ZMSBWCHXUYDFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3NOP/c7-6(8,9)5-4(12-11)2-1-3-10-5/h1-3H.
What are the key properties of 3-phosphoroso-2-(trifluoromethyl)pyridine?
3-phosphoroso-2-(trifluoromethyl)pyridine has a molecular weight of 193.06 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphoroso-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 174902231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).