(3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol

C16H17ClN2O — CID 124883711

IUPAC(3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol
SMILESO[C@]1(Cc2cccc(Cl)c2)CCN(c2ccccn2)C1
InChIInChI=1S/C16H17ClN2O/c17-14-5-3-4-13(10-14)11-16(20)7-9-19(12-16)15-6-1-2-8-18-15/h1-6,8,10,20H,7,9,11-12H2/t16-/m0/s1
InChIKeySUYPZDUDAGTDLF-INIZCTEOSA-N
MW288.78 g/mol
LogP2.92
Rot. Bonds3

About (3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol

(3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol (PubChem CID 124883711) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is (3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol
PubChem CID124883711
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name(3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol
SMILESO[C@]1(Cc2cccc(Cl)c2)CCN(c2ccccn2)C1
InChIInChI=1S/C16H17ClN2O/c17-14-5-3-4-13(10-14)11-16(20)7-9-19(12-16)15-6-1-2-8-18-15/h1-6,8,10,20H,7,9,11-12H2/t16-/m0/s1
InChIKeySUYPZDUDAGTDLF-INIZCTEOSA-N
XLogP2.92
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-pyridin-2-ylpyrrolidin-3-ol
CID 175660643
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797404
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propane-1-sulfonamide
CID 124946133
3-[(3-chlorophenyl)methyl]thietan-3-ol
CID 83689574
tert-butyl 3-[(3-chlorophenyl)methyl]-3-hydroxypyrrolidine-1-carboxylate
CID 71757706
[(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol
CID 42291689
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylcyclopropanecarboxamide
CID 110124176
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 125016063
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
CID 110124246
4-[(3-chlorophenyl)methyl]-1-propylazepan-4-ol
CID 65077956
1-[(3-chlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 112682618

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol?
The IUPAC name of (3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol (CID 124883711) is (3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol is O[C@]1(Cc2cccc(Cl)c2)CCN(c2ccccn2)C1.
What is the InChIKey of (3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol?
The InChIKey is SUYPZDUDAGTDLF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-14-5-3-4-13(10-14)11-16(20)7-9-19(12-16)15-6-1-2-8-18-15/h1-6,8,10,20H,7,9,11-12H2/t16-/m0/s1.
What are the key properties of (3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol?
(3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol has a molecular weight of 288.78 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 124883711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).