[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol

C13H16ClF3N2O2 — CID 114779306

IUPAC[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2ncc(C(F)(F)F)cc2Cl)CC(CO)O1
InChIInChI=1S/C13H16ClF3N2O2/c1-12(2)7-19(5-9(6-20)21-12)11-10(14)3-8(4-18-11)13(15,16)17/h3-4,9,20H,5-7H2,1-2H3
InChIKeyHCILENWNWDBHSG-UHFFFAOYSA-N
MW324.73 g/mol
LogP2.73
Rot. Bonds2

About [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779306) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779306
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC Name[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2ncc(C(F)(F)F)cc2Cl)CC(CO)O1
InChIInChI=1S/C13H16ClF3N2O2/c1-12(2)7-19(5-9(6-20)21-12)11-10(14)3-8(4-18-11)13(15,16)17/h3-4,9,20H,5-7H2,1-2H3
InChIKeyHCILENWNWDBHSG-UHFFFAOYSA-N
XLogP2.73
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792
2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine
CID 102937213
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103725154
[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
CID 114779633
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 115871414
[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776247
[(3R,4R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[[ethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 70768899
[4-(2-amino-5-fluoropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782748
4-chloro-6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 114777268
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
CID 64616049
5-chloro-6-[6-[[2-(dimethylamino)-2-oxoethoxy]methyl]-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 136549311
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile
CID 114776876

Frequently Asked Questions

What is the IUPAC name of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114779306) is [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(c2ncc(C(F)(F)F)cc2Cl)CC(CO)O1.
What is the InChIKey of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is HCILENWNWDBHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O2/c1-12(2)7-19(5-9(6-20)21-12)11-10(14)3-8(4-18-11)13(15,16)17/h3-4,9,20H,5-7H2,1-2H3.
What are the key properties of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 324.73 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).