2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile

C14H11FN2O — CID 131870641

IUPAC2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1ccc(-c2cccc(F)c2)c(CC#N)n1
InChIInChI=1S/C14H11FN2O/c1-18-14-6-5-12(13(17-14)7-8-16)10-3-2-4-11(15)9-10/h2-6,9H,7H2,1H3
InChIKeyUUJMTVRPSVYQRM-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.96
Rot. Bonds3

About 2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile

2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile (PubChem CID 131870641) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile
PubChem CID131870641
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1ccc(-c2cccc(F)c2)c(CC#N)n1
InChIInChI=1S/C14H11FN2O/c1-18-14-6-5-12(13(17-14)7-8-16)10-3-2-4-11(15)9-10/h2-6,9H,7H2,1H3
InChIKeyUUJMTVRPSVYQRM-UHFFFAOYSA-N
XLogP2.96
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-chloro-3-(3-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870588
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001
3-(3-fluorophenyl)-2-methoxy-6-methylpyridine
CID 46312939
2-[2-(3-fluorophenyl)phenoxy]acetonitrile
CID 91290216
[5-(3-fluorophenyl)-6-methoxy-2-pyridinyl]methanol
CID 131870133
2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine
CID 131869560
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869856
2-[5-(3-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 131869910
2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131869874
2-[2-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 117001885
2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870263
2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 133094368

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile (CID 131870641) is 2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile is COc1ccc(-c2cccc(F)c2)c(CC#N)n1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile?
The InChIKey is UUJMTVRPSVYQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-18-14-6-5-12(13(17-14)7-8-16)10-3-2-4-11(15)9-10/h2-6,9H,7H2,1H3.
What are the key properties of 2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile?
2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile has a molecular weight of 242.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 131870641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).