2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile

C14H11ClN2O2 — CID 94283491

IUPAC2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2ccnc(Cl)c2C#N)c1
InChIInChI=1S/C14H11ClN2O2/c1-18-9-3-4-13(19-2)11(7-9)10-5-6-17-14(15)12(10)8-16/h3-7H,1-2H3
InChIKeyBXVPKXPNCOBPSQ-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile

2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 94283491) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID94283491
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2ccnc(Cl)c2C#N)c1
InChIInChI=1S/C14H11ClN2O2/c1-18-9-3-4-13(19-2)11(7-9)10-5-6-17-14(15)12(10)8-16/h3-7H,1-2H3
InChIKeyBXVPKXPNCOBPSQ-UHFFFAOYSA-N
XLogP3.29
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile
CID 10733191
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine
CID 43654737
2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3557233
3-chloro-6-methoxyisoquinoline-4-carbonitrile
CID 131699946
2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82424538
5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 82117371
2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
CID 135496405
2-(2,5-dimethoxyphenyl)-4-fluoropyridine
CID 102824456
2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3554219
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-amino-4-(2,5-dimethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 5156796

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile (CID 94283491) is 2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(OC)c(-c2ccnc(Cl)c2C#N)c1.
What is the InChIKey of 2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is BXVPKXPNCOBPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-18-9-3-4-13(19-2)11(7-9)10-5-6-17-14(15)12(10)8-16/h3-7H,1-2H3.
What are the key properties of 2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 274.71 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 94283491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).