2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile

C13H11N3O — CID 131869741

IUPAC2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
SMILESCOc1ncc(-c2cccnc2)cc1CC#N
InChIInChI=1S/C13H11N3O/c1-17-13-10(4-5-14)7-12(9-16-13)11-3-2-6-15-8-11/h2-3,6-9H,4H2,1H3
InChIKeyVOTUHVNWIABPLR-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.22
Rot. Bonds3

About 2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile

2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile (PubChem CID 131869741) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
PubChem CID131869741
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
SMILESCOc1ncc(-c2cccnc2)cc1CC#N
InChIInChI=1S/C13H11N3O/c1-17-13-10(4-5-14)7-12(9-16-13)11-3-2-6-15-8-11/h2-3,6-9H,4H2,1H3
InChIKeyVOTUHVNWIABPLR-UHFFFAOYSA-N
XLogP2.22
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131870368
2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094235
2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094237
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360
2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 133094539
2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001889
2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130097445
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
2-(2-fluoro-5-phenyl-3-pyridinyl)acetonitrile
CID 131870328
2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094978
2-[2-pyridin-3-yl-5-(trifluoromethyl)phenyl]acetonitrile
CID 46316257
2,3-dimethyl-5-pyridin-3-ylpyridine
CID 122608541

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile (CID 131869741) is 2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile is COc1ncc(-c2cccnc2)cc1CC#N.
What is the InChIKey of 2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile?
The InChIKey is VOTUHVNWIABPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-13-10(4-5-14)7-12(9-16-13)11-3-2-6-15-8-11/h2-3,6-9H,4H2,1H3.
What are the key properties of 2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile?
2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile is sourced from PubChem (CID 131869741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).