2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

C15H15ClFN3O — CID 11197577

IUPAC2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESFc1ccc(-c2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1
InChIInChI=1S/C15H15ClFN3O/c16-15-13(10-3-4-14(17)19-7-10)6-12(8-20-15)21-9-11-2-1-5-18-11/h3-4,6-8,11,18H,1-2,5,9H2/t11-/m0/s1
InChIKeyZVXVOQXKSMPCGF-NSHDSACASA-N
MW307.76 g/mol
LogP3.07
Rot. Bonds4

About 2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 11197577) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID11197577
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESFc1ccc(-c2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1
InChIInChI=1S/C15H15ClFN3O/c16-15-13(10-3-4-14(17)19-7-10)6-12(8-20-15)21-9-11-2-1-5-18-11/h3-4,6-8,11,18H,1-2,5,9H2/t11-/m0/s1
InChIKeyZVXVOQXKSMPCGF-NSHDSACASA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (CID 11197577) is 2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is Fc1ccc(-c2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1.
What is the InChIKey of 2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is ZVXVOQXKSMPCGF-NSHDSACASA-N. The full InChI is InChI=1S/C15H15ClFN3O/c16-15-13(10-3-4-14(17)19-7-10)6-12(8-20-15)21-9-11-2-1-5-18-11/h3-4,6-8,11,18H,1-2,5,9H2/t11-/m0/s1.
What are the key properties of 2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 307.76 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 11197577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).