[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol

C13H13ClF3N3O — CID 106971722

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2ccc(C(F)(F)F)nc2Cl)cn1
InChIInChI=1S/C13H13ClF3N3O/c1-2-5-20-7-8(6-18-20)11(21)9-3-4-10(13(15,16)17)19-12(9)14/h3-4,6-7,11,21H,2,5H2,1H3
InChIKeyYDEAAZTYTWKJCC-UHFFFAOYSA-N
MW319.71 g/mol
LogP3.44
Rot. Bonds4

About [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol (PubChem CID 106971722) has the molecular formula C13H13ClF3N3O and a molecular weight of 319.71 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol
PubChem CID106971722
Molecular FormulaC13H13ClF3N3O
Molecular Weight319.71 g/mol
Exact Mass319.07
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2ccc(C(F)(F)F)nc2Cl)cn1
InChIInChI=1S/C13H13ClF3N3O/c1-2-5-20-7-8(6-18-20)11(21)9-3-4-10(13(15,16)17)19-12(9)14/h3-4,6-7,11,21H,2,5H2,1H3
InChIKeyYDEAAZTYTWKJCC-UHFFFAOYSA-N
XLogP3.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.71
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971491
(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 63895060
(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114981635
(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971530
(1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol
CID 83091487
(3-bromo-4-chlorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 115566276
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 114981636
(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methanol
CID 66118416
(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971706
2,3-dihydro-1-benzofuran-7-yl-(1-propylpyrazol-4-yl)methanol
CID 103572734
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 106971544
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-fluoro-2-methylphenyl)methanol
CID 106972147

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol (CID 106971722) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)c2ccc(C(F)(F)F)nc2Cl)cn1.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol?
The InChIKey is YDEAAZTYTWKJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O/c1-2-5-20-7-8(6-18-20)11(21)9-3-4-10(13(15,16)17)19-12(9)14/h3-4,6-7,11,21H,2,5H2,1H3.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol has a molecular weight of 319.71 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 106971722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).