1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol

C11H12ClF3N2O — CID 103725154

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H12ClF3N2O/c1-10(18)2-3-17(6-10)9-8(12)4-7(5-16-9)11(13,14)15/h4-5,18H,2-3,6H2,1H3
InChIKeyBYHFZZWOSJDZHU-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.71
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol (PubChem CID 103725154) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol
PubChem CID103725154
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C11H12ClF3N2O/c1-10(18)2-3-17(6-10)9-8(12)4-7(5-16-9)11(13,14)15/h4-5,18H,2-3,6H2,1H3
InChIKeyBYHFZZWOSJDZHU-UHFFFAOYSA-N
XLogP2.71
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 115871414
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide
CID 100647448
1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol
CID 103738622
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
CID 50968620
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779306
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133365007
9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 163317013
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 154818315
(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 8908325

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol (CID 103725154) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(c2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol?
The InChIKey is BYHFZZWOSJDZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c1-10(18)2-3-17(6-10)9-8(12)4-7(5-16-9)11(13,14)15/h4-5,18H,2-3,6H2,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol has a molecular weight of 280.68 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103725154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).