6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine

C10H12ClFN2O — CID 177332339

IUPAC6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine
SMILESFc1nc(Cl)ccc1OCC1CCCN1
InChIInChI=1S/C10H12ClFN2O/c11-9-4-3-8(10(12)14-9)15-6-7-2-1-5-13-7/h3-4,7,13H,1-2,5-6H2
InChIKeyREZMPTZDRFZAEX-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.00
Rot. Bonds3

About 6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine

6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine (PubChem CID 177332339) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine
PubChem CID177332339
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine
SMILESFc1nc(Cl)ccc1OCC1CCCN1
InChIInChI=1S/C10H12ClFN2O/c11-9-4-3-8(10(12)14-9)15-6-7-2-1-5-13-7/h3-4,7,13H,1-2,5-6H2
InChIKeyREZMPTZDRFZAEX-UHFFFAOYSA-N
XLogP2.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.00
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-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 146447660
2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 102820104
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
3-chloro-6-[[(2R)-piperidin-2-yl]methoxy]pyridazine
CID 94407353
2-chloro-6-(pyrrolidin-2-ylmethoxy)pyrazine
CID 116650736
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine?
The IUPAC name of 6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine (CID 177332339) is 6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine.
What is the SMILES notation for 6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine?
The canonical SMILES for 6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine is Fc1nc(Cl)ccc1OCC1CCCN1.
What is the InChIKey of 6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine?
The InChIKey is REZMPTZDRFZAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-9-4-3-8(10(12)14-9)15-6-7-2-1-5-13-7/h3-4,7,13H,1-2,5-6H2.
What are the key properties of 6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine?
6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine has a molecular weight of 230.67 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine is sourced from PubChem (CID 177332339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).