3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile

C12H8FN3O — CID 163223891

IUPAC3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1OCc1cccc(F)n1
InChIInChI=1S/C12H8FN3O/c13-12-3-1-2-10(16-12)8-17-11-7-15-5-4-9(11)6-14/h1-5,7H,8H2
InChIKeyWLOCKCJJFBGMNR-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.07
Rot. Bonds3

About 3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile

3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile (PubChem CID 163223891) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile
PubChem CID163223891
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1OCc1cccc(F)n1
InChIInChI=1S/C12H8FN3O/c13-12-3-1-2-10(16-12)8-17-11-7-15-5-4-9(11)6-14/h1-5,7H,8H2
InChIKeyWLOCKCJJFBGMNR-UHFFFAOYSA-N
XLogP2.07
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile
CID 113269444
3-propoxypyridine-4-carbonitrile
CID 19432765
3-[2-(diethylamino)ethoxy]pyridine-4-carbonitrile
CID 114287930
3-(cyclopent-3-en-1-ylmethoxy)pyridine-4-carbonitrile
CID 126954496
3-(difluoromethoxy)pyridine-4-carbonitrile
CID 131231725
3-(2-amino-6-fluorophenoxy)pyridine-4-carbonitrile
CID 113458316
3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
CID 114287980
6-(pyridin-4-yloxymethyl)pyridine-2-carbonitrile
CID 167748201
2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane
CID 170747048
3-[(3,3-difluorooxolan-2-yl)methoxy]pyridine-4-carbonitrile
CID 156870077
3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 114287868
3-propan-2-yloxypyridine-4-carbonitrile
CID 91623739

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile (CID 163223891) is 3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile is N#Cc1ccncc1OCc1cccc(F)n1.
What is the InChIKey of 3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile?
The InChIKey is WLOCKCJJFBGMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-12-3-1-2-10(16-12)8-17-11-7-15-5-4-9(11)6-14/h1-5,7H,8H2.
What are the key properties of 3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile?
3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile has a molecular weight of 229.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 163223891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).