2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile

C11H12FN3O — CID 54045919

IUPAC2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cc(OC[C@@H]2CCCN2)cnc1F
InChIInChI=1S/C11H12FN3O/c12-11-8(5-13)4-10(6-15-11)16-7-9-2-1-3-14-9/h4,6,9,14H,1-3,7H2/t9-/m0/s1
InChIKeyLPOSONVXAMFBIG-VIFPVBQESA-N
MW221.23 g/mol
LogP1.22
Rot. Bonds3

About 2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile

2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile (PubChem CID 54045919) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile
PubChem CID54045919
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cc(OC[C@@H]2CCCN2)cnc1F
InChIInChI=1S/C11H12FN3O/c12-11-8(5-13)4-10(6-15-11)16-7-9-2-1-3-14-9/h4,6,9,14H,1-3,7H2/t9-/m0/s1
InChIKeyLPOSONVXAMFBIG-VIFPVBQESA-N
XLogP1.22
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.22
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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Related Compounds

3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 54384732
2-fluoro-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 107923348
2-chloro-3-ethynyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18459021
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
N-[2-fluoro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54387208
5-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridin-3-amine
CID 45116350
N,2-dimethyl-5-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
CID 23227060
2-bromo-4-(piperidin-2-ylmethoxy)benzonitrile
CID 107281541
2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 11197577
4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
CID 62349150
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 59330545

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile (CID 54045919) is 2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile is N#Cc1cc(OC[C@@H]2CCCN2)cnc1F.
What is the InChIKey of 2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile?
The InChIKey is LPOSONVXAMFBIG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12FN3O/c12-11-8(5-13)4-10(6-15-11)16-7-9-2-1-3-14-9/h4,6,9,14H,1-3,7H2/t9-/m0/s1.
What are the key properties of 2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile?
2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile has a molecular weight of 221.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 54045919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).