3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine

C14H21ClN2O — CID 57313575

IUPAC3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESCCCCc1cc(OCC2CCCN2)cnc1Cl
InChIInChI=1S/C14H21ClN2O/c1-2-3-5-11-8-13(9-17-14(11)15)18-10-12-6-4-7-16-12/h8-9,12,16H,2-7,10H2,1H3
InChIKeyGPBXVNUVXJGMOS-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.21
Rot. Bonds6

About 3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine

3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine (PubChem CID 57313575) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine
PubChem CID57313575
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESCCCCc1cc(OCC2CCCN2)cnc1Cl
InChIInChI=1S/C14H21ClN2O/c1-2-3-5-11-8-13(9-17-14(11)15)18-10-12-6-4-7-16-12/h8-9,12,16H,2-7,10H2,1H3
InChIKeyGPBXVNUVXJGMOS-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.21
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

2-chloro-3-ethynyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18459021
3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 54384732
N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54027066
2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18458735
2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 11197577
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
N,2-dimethyl-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
CID 23227060
3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18458799
(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine?
The IUPAC name of 3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine (CID 57313575) is 3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine.
What is the SMILES notation for 3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine?
The canonical SMILES for 3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine is CCCCc1cc(OCC2CCCN2)cnc1Cl.
What is the InChIKey of 3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine?
The InChIKey is GPBXVNUVXJGMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-3-5-11-8-13(9-17-14(11)15)18-10-12-6-4-7-16-12/h8-9,12,16H,2-7,10H2,1H3.
What are the key properties of 3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine?
3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine has a molecular weight of 268.79 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine is sourced from PubChem (CID 57313575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).