2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile

C14H11FN2O — CID 131870100

IUPAC2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile
SMILESCOc1cc(CC#N)c(-c2ccc(F)cc2)cn1
InChIInChI=1S/C14H11FN2O/c1-18-14-8-11(6-7-16)13(9-17-14)10-2-4-12(15)5-3-10/h2-5,8-9H,6H2,1H3
InChIKeyHLEBAYBKLUWKAQ-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.96
Rot. Bonds3

About 2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile

2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile (PubChem CID 131870100) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile
PubChem CID131870100
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile
SMILESCOc1cc(CC#N)c(-c2ccc(F)cc2)cn1
InChIInChI=1S/C14H11FN2O/c1-18-14-8-11(6-7-16)13(9-17-14)10-2-4-12(15)5-3-10/h2-5,8-9H,6H2,1H3
InChIKeyHLEBAYBKLUWKAQ-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-(5-bromo-2-methoxy-4-pyridinyl)acetonitrile
CID 84791196
2-(2-fluoro-5-phenyl-4-pyridinyl)acetonitrile
CID 131870326
2-[2,5-bis[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094062
2-[2-chloro-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 119011409
2-(5-fluoro-2-phenylphenyl)acetonitrile
CID 46314808
2-[5-phenyl-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133096208
2-[5-(2-chloro-4-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670265
5-(4-fluorophenyl)-4-methoxypyridin-2-amine
CID 171390992
2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869791
2-[5-fluoro-2-(methoxymethoxy)phenyl]acetonitrile
CID 67282069
2-[3-(3-fluorophenyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 131870641
8-(4-fluorophenyl)-2,4-dimethoxyquinoline
CID 70166715

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile (CID 131870100) is 2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile is COc1cc(CC#N)c(-c2ccc(F)cc2)cn1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile?
The InChIKey is HLEBAYBKLUWKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-18-14-8-11(6-7-16)13(9-17-14)10-2-4-12(15)5-3-10/h2-5,8-9H,6H2,1H3.
What are the key properties of 2-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile?
2-[5-(4-fluorophenyl)-2-methoxy-4-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-[5-(4-fluorophenyl)-2-methoxy-4-pyridinyl]acetonitrile is sourced from PubChem (CID 131870100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).