1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol

C12H14ClF3N2O — CID 102716130

IUPAC1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2cc(C(F)(F)F)cc(Cl)n2)C1
InChIInChI=1S/C12H14ClF3N2O/c1-7(19)8-2-3-18(6-8)11-5-9(12(14,15)16)4-10(13)17-11/h4-5,7-8,19H,2-3,6H2,1H3
InChIKeyZZWIMUUJUVRZHQ-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.96
Rot. Bonds2

About 1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol

1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol (PubChem CID 102716130) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
PubChem CID102716130
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2cc(C(F)(F)F)cc(Cl)n2)C1
InChIInChI=1S/C12H14ClF3N2O/c1-7(19)8-2-3-18(6-8)11-5-9(12(14,15)16)4-10(13)17-11/h4-5,7-8,19H,2-3,6H2,1H3
InChIKeyZZWIMUUJUVRZHQ-UHFFFAOYSA-N
XLogP2.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-ylazepane
CID 102715943
1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112627873
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
1-[1-[2-[3-(1-hydroxyethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol
CID 133397942
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 106588148
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 102716081
2-tert-butyl-4-chloro-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 113418376
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766561
1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839876
[6-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 103504770
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 115965207
2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 102715411

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol (CID 102716130) is 1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2cc(C(F)(F)F)cc(Cl)n2)C1.
What is the InChIKey of 1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The InChIKey is ZZWIMUUJUVRZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-7(19)8-2-3-18(6-8)11-5-9(12(14,15)16)4-10(13)17-11/h4-5,7-8,19H,2-3,6H2,1H3.
What are the key properties of 1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol has a molecular weight of 294.70 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 102716130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).