3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride

C11H13Cl2F3N2O — CID 126843079

IUPAC3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(COC2CCNC2)c(Cl)c1
InChIInChI=1S/C11H12ClF3N2O.ClH/c12-9-3-7(11(13,14)15)4-17-10(9)6-18-8-1-2-16-5-8;/h3-4,8,16H,1-2,5-6H2;1H
InChIKeyFSQPKKSMSYYXDY-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.05
Rot. Bonds3

About 3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride

3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride (PubChem CID 126843079) has the molecular formula C11H13Cl2F3N2O and a molecular weight of 317.14 g/mol. Its IUPAC name is 3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride
PubChem CID126843079
Molecular FormulaC11H13Cl2F3N2O
Molecular Weight317.14 g/mol
Exact Mass316.04
IUPAC Name3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(COC2CCNC2)c(Cl)c1
InChIInChI=1S/C11H12ClF3N2O.ClH/c12-9-3-7(11(13,14)15)4-17-10(9)6-18-8-1-2-16-5-8;/h3-4,8,16H,1-2,5-6H2;1H
InChIKeyFSQPKKSMSYYXDY-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
CID 71643509
3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 114796299
3-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97165073
2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride
CID 71640385
2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
CID 71642986
3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine
CID 55206297
3-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164579
3-chloro-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164580
3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
CID 94409728
3-chloro-2-(2-piperidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 62358361
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(cyclopropylmethyl)ethanamine
CID 134569795
3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 2780427

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride?
The IUPAC name of 3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride (CID 126843079) is 3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride.
What is the SMILES notation for 3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride?
The canonical SMILES for 3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride is Cl.FC(F)(F)c1cnc(COC2CCNC2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride?
The InChIKey is FSQPKKSMSYYXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O.ClH/c12-9-3-7(11(13,14)15)4-17-10(9)6-18-8-1-2-16-5-8;/h3-4,8,16H,1-2,5-6H2;1H.
What are the key properties of 3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride?
3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride has a molecular weight of 317.14 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride is sourced from PubChem (CID 126843079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).