[4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol

C17H19FN2O2 — CID 54316367

IUPAC[4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol
SMILESCc1nc(C(C)C)c(CO)c(-c2ccc(F)cc2)c1CN=O
InChIInChI=1S/C17H19FN2O2/c1-10(2)17-15(9-21)16(12-4-6-13(18)7-5-12)14(8-19-22)11(3)20-17/h4-7,10,21H,8-9H2,1-3H3
InChIKeySOLYGCBOHIFRJH-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.08
Rot. Bonds5

About [4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol

[4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol (PubChem CID 54316367) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol
PubChem CID54316367
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name[4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol
SMILESCc1nc(C(C)C)c(CO)c(-c2ccc(F)cc2)c1CN=O
InChIInChI=1S/C17H19FN2O2/c1-10(2)17-15(9-21)16(12-4-6-13(18)7-5-12)14(8-19-22)11(3)20-17/h4-7,10,21H,8-9H2,1-3H3
InChIKeySOLYGCBOHIFRJH-UHFFFAOYSA-N
XLogP4.08
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]butan-1-ol
CID 22005370
[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005324
[4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22004961
[4-(4-fluorophenyl)-5-methoxy-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 53407193
[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(trideuteriomethoxymethyl)-3-pyridinyl]methanol
CID 11645697
[4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol
CID 54492594
[4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005217
[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005170
[4-(4-fluorophenyl)-2-methyl-5-[(E)-pent-1-enyl]-6-propan-2-yl-3-pyridinyl]methanol
CID 22004996
[5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 20647537
[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol
CID 20647521
[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol
CID 44595748

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol (CID 54316367) is [4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol is Cc1nc(C(C)C)c(CO)c(-c2ccc(F)cc2)c1CN=O.
What is the InChIKey of [4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol?
The InChIKey is SOLYGCBOHIFRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-10(2)17-15(9-21)16(12-4-6-13(18)7-5-12)14(8-19-22)11(3)20-17/h4-7,10,21H,8-9H2,1-3H3.
What are the key properties of [4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol has a molecular weight of 302.35 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol is sourced from PubChem (CID 54316367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).