2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile

C8H7FN2O — CID 84765026

IUPAC2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile
SMILESCOc1nc(CC#N)ccc1F
InChIInChI=1S/C8H7FN2O/c1-12-8-7(9)3-2-6(11-8)4-5-10/h2-3H,4H2,1H3
InChIKeyKSNXEWOYXHVHQP-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.30
Rot. Bonds2

About 2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile

2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile (PubChem CID 84765026) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is 2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile
PubChem CID84765026
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile
SMILESCOc1nc(CC#N)ccc1F
InChIInChI=1S/C8H7FN2O/c1-12-8-7(9)3-2-6(11-8)4-5-10/h2-3H,4H2,1H3
InChIKeyKSNXEWOYXHVHQP-UHFFFAOYSA-N
XLogP1.30
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(4-fluoro-2,3-dimethylphenyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 144796289
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
2-(5-amino-3-fluoro-6-methoxy-2-pyridinyl)acetonitrile
CID 170733413
2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 118822105
2-(8-methoxyquinolin-2-yl)acetonitrile
CID 82241154
2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 133084946
2-[6-(2,5-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094529
2-(5,7-dimethoxyquinolin-2-yl)acetonitrile
CID 84625416
2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094175
2-[4-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678124
2-(2-fluoropyrimidin-4-yl)acetonitrile
CID 130909769
2-(5-fluoro-6-pyridin-3-yl-2-pyridinyl)acetonitrile
CID 131870359

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile (CID 84765026) is 2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile is COc1nc(CC#N)ccc1F.
What is the InChIKey of 2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile?
The InChIKey is KSNXEWOYXHVHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c1-12-8-7(9)3-2-6(11-8)4-5-10/h2-3H,4H2,1H3.
What are the key properties of 2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile?
2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile has a molecular weight of 166.15 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile is sourced from PubChem (CID 84765026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).