[6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol

C16H13ClFN3O3 — CID 155715328

IUPAC[6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol
SMILESOC(O)(c1cn[nH]c1)c1ccc(OCF)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H13ClFN3O3/c17-12-3-1-2-10(6-12)15-13(24-9-18)4-5-14(21-15)16(22,23)11-7-19-20-8-11/h1-8,22-23H,9H2,(H,19,20)
InChIKeyNWASDVJHYLTDPT-UHFFFAOYSA-N
MW349.75 g/mol
LogP2.62
Rot. Bonds5

About [6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol

[6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol (PubChem CID 155715328) has the molecular formula C16H13ClFN3O3 and a molecular weight of 349.75 g/mol. Its IUPAC name is [6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol.

Molecular Properties

Compound Name[6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol
PubChem CID155715328
Molecular FormulaC16H13ClFN3O3
Molecular Weight349.75 g/mol
Exact Mass349.06
IUPAC Name[6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol
SMILESOC(O)(c1cn[nH]c1)c1ccc(OCF)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H13ClFN3O3/c17-12-3-1-2-10(6-12)15-13(24-9-18)4-5-14(21-15)16(22,23)11-7-19-20-8-11/h1-8,22-23H,9H2,(H,19,20)
InChIKeyNWASDVJHYLTDPT-UHFFFAOYSA-N
XLogP2.62
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[6-[[1-(fluoromethyl)pyrazol-4-yl]-dihydroxymethyl]-3-methoxy-2-pyridinyl]benzonitrile
CID 155715317
6-chloro-2-(3-chlorophenyl)-3-methoxypyridine
CID 174463483
6-(3-chlorophenyl)-5-methoxypyridine-2-carboxylic acid
CID 71087250
2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
CID 68790293
2-chloro-5-(3-chlorophenyl)-1H-imidazole
CID 105466466
methyl 5-bromo-6-(3-chlorophenyl)pyrazine-2-carboxylate
CID 86682315
2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid
CID 105498355
3-methoxy-6-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134627212
[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79484478
4-(3-chlorophenyl)-5-methylpyrimidine
CID 130121120
1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82771079
N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide
CID 71238548

Frequently Asked Questions

What is the IUPAC name of [6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol?
The IUPAC name of [6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol (CID 155715328) is [6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol.
What is the SMILES notation for [6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol?
The canonical SMILES for [6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol is OC(O)(c1cn[nH]c1)c1ccc(OCF)c(-c2cccc(Cl)c2)n1.
What is the InChIKey of [6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol?
The InChIKey is NWASDVJHYLTDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3/c17-12-3-1-2-10(6-12)15-13(24-9-18)4-5-14(21-15)16(22,23)11-7-19-20-8-11/h1-8,22-23H,9H2,(H,19,20).
What are the key properties of [6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol?
[6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol has a molecular weight of 349.75 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenyl)-5-(fluoromethoxy)-2-pyridinyl]-(1H-pyrazol-4-yl)methanediol is sourced from PubChem (CID 155715328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).