4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile

C13H8ClFN2O — CID 63884828

IUPAC4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc(F)cc2Cl)ccn1
InChIInChI=1S/C13H8ClFN2O/c14-12-6-10(15)1-2-13(12)18-8-9-3-4-17-11(5-9)7-16/h1-6H,8H2
InChIKeyRCVRSPCSJZFMON-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.32
Rot. Bonds3

About 4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile

4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 63884828) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
PubChem CID63884828
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc(F)cc2Cl)ccn1
InChIInChI=1S/C13H8ClFN2O/c14-12-6-10(15)1-2-13(12)18-8-9-3-4-17-11(5-9)7-16/h1-6H,8H2
InChIKeyRCVRSPCSJZFMON-UHFFFAOYSA-N
XLogP3.32
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile
CID 63882145
4-[(2-amino-5-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 63889015
4-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 107695260
4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884434
4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
CID 62465698
4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882157
4-[(5-fluoro-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63885407
4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 78953410
[4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465712
4-[[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888650
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile (CID 63884828) is 4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2ccc(F)cc2Cl)ccn1.
What is the InChIKey of 4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is RCVRSPCSJZFMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c14-12-6-10(15)1-2-13(12)18-8-9-3-4-17-11(5-9)7-16/h1-6H,8H2.
What are the key properties of 4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile?
4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 262.67 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63884828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).