3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile

C14H11ClN2O — CID 65125922

IUPAC3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COCc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O/c15-13-5-3-11(4-6-13)9-18-10-12-2-1-7-17-14(12)8-16/h1-7H,9-10H2
InChIKeyMKXPRMHDUIFCDL-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.32
Rot. Bonds4

About 3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile

3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile (PubChem CID 65125922) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile
PubChem CID65125922
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COCc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O/c15-13-5-3-11(4-6-13)9-18-10-12-2-1-7-17-14(12)8-16/h1-7H,9-10H2
InChIKeyMKXPRMHDUIFCDL-UHFFFAOYSA-N
XLogP3.32
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbonitrile
CID 62919246
3-[(4-chlorophenyl)methylsulfanyl]pyridine-2-carbonitrile
CID 114790416
3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
CID 112587633
3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 107691144
3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079
3-chloro-4-[(4-chlorophenyl)methoxymethyl]benzonitrile
CID 102665943
3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile
CID 106447603
3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 65125822
3-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridine-2-carbonitrile
CID 103289458
3-(2-aminoethyl)pyridine-2-carbonitrile
CID 83872418
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile (CID 65125922) is 3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile is N#Cc1ncccc1COCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile?
The InChIKey is MKXPRMHDUIFCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-13-5-3-11(4-6-13)9-18-10-12-2-1-7-17-14(12)8-16/h1-7H,9-10H2.
What are the key properties of 3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile?
3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 65125922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).