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

C14H8ClN3O — CID 63882145

IUPAC4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(OCc2ccnc(C#N)c2)c(Cl)c1
InChIInChI=1S/C14H8ClN3O/c15-13-6-10(7-16)1-2-14(13)19-9-11-3-4-18-12(5-11)8-17/h1-6H,9H2
InChIKeyFUNNHXSGPKPBAM-UHFFFAOYSA-N
MW269.69 g/mol
LogP3.06
Rot. Bonds3

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

4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 63882145) has the molecular formula C14H8ClN3O and a molecular weight of 269.69 g/mol. Its IUPAC name is 4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile
PubChem CID63882145
Molecular FormulaC14H8ClN3O
Molecular Weight269.69 g/mol
Exact Mass269.04
IUPAC Name4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(OCc2ccnc(C#N)c2)c(Cl)c1
InChIInChI=1S/C14H8ClN3O/c15-13-6-10(7-16)1-2-14(13)19-9-11-3-4-18-12(5-11)8-17/h1-6H,9H2
InChIKeyFUNNHXSGPKPBAM-UHFFFAOYSA-N
XLogP3.06
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884828
4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884434
3-chloro-4-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 61389153
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435
3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile
CID 79230623
5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide
CID 82916776
4-[(4-chloro-2-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63884238
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
4-[[2-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887638
3-chloro-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzonitrile
CID 8977323

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile (CID 63882145) is 4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile is N#Cc1ccc(OCc2ccnc(C#N)c2)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is FUNNHXSGPKPBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O/c15-13-6-10(7-16)1-2-14(13)19-9-11-3-4-18-12(5-11)8-17/h1-6H,9H2.
What are the key properties of 4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile?
4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 269.69 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63882145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).