5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine

C21H19Cl2N — CID 129251723

IUPAC5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine
SMILESClc1ccc(Cl)c(CN2C=C(C3CC3)C(c3ccccc3)=CC2)c1
InChIInChI=1S/C21H19Cl2N/c22-18-8-9-21(23)17(12-18)13-24-11-10-19(15-4-2-1-3-5-15)20(14-24)16-6-7-16/h1-5,8-10,12,14,16H,6-7,11,13H2
InChIKeyJZDGKEHOBPFSHK-UHFFFAOYSA-N
MW356.30 g/mol
LogP6.19
Rot. Bonds4

About 5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine

5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine (PubChem CID 129251723) has the molecular formula C21H19Cl2N and a molecular weight of 356.30 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine
PubChem CID129251723
Molecular FormulaC21H19Cl2N
Molecular Weight356.30 g/mol
Exact Mass355.09
IUPAC Name5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine
SMILESClc1ccc(Cl)c(CN2C=C(C3CC3)C(c3ccccc3)=CC2)c1
InChIInChI=1S/C21H19Cl2N/c22-18-8-9-21(23)17(12-18)13-24-11-10-19(15-4-2-1-3-5-15)20(14-24)16-6-7-16/h1-5,8-10,12,14,16H,6-7,11,13H2
InChIKeyJZDGKEHOBPFSHK-UHFFFAOYSA-N
XLogP6.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.30
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-chloro-3-[[5-cyclopropyl-4-(2-cyclopropyloxyphenyl)-2H-pyridin-1-yl]methyl]phenyl]pentan-1-amine
CID 129251864
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920676
2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
CID 10543026
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
1-[(2,5-dichlorophenyl)methyl]azetidine-3-carboxylic acid
CID 65317178
2-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole
CID 142735286
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methyl]azepane
CID 116638390
1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde
CID 65318635
2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
CID 65318647
[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine
CID 70247094
4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine
CID 140851998

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine?
The IUPAC name of 5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine (CID 129251723) is 5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine.
What is the SMILES notation for 5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine?
The canonical SMILES for 5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine is Clc1ccc(Cl)c(CN2C=C(C3CC3)C(c3ccccc3)=CC2)c1.
What is the InChIKey of 5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine?
The InChIKey is JZDGKEHOBPFSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N/c22-18-8-9-21(23)17(12-18)13-24-11-10-19(15-4-2-1-3-5-15)20(14-24)16-6-7-16/h1-5,8-10,12,14,16H,6-7,11,13H2.
What are the key properties of 5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine?
5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine has a molecular weight of 356.30 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-4-phenyl-2H-pyridine is sourced from PubChem (CID 129251723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).