2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine

C16H10Cl2N2 — CID 101434001

IUPAC2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine
SMILESClc1ccc(-c2ccccc2-c2ncccn2)cc1Cl
InChIInChI=1S/C16H10Cl2N2/c17-14-7-6-11(10-15(14)18)12-4-1-2-5-13(12)16-19-8-3-9-20-16/h1-10H
InChIKeyLBMIYVGFFKTKAS-UHFFFAOYSA-N
MW301.18 g/mol
LogP5.12
Rot. Bonds2

About 2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine

2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine (PubChem CID 101434001) has the molecular formula C16H10Cl2N2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine
PubChem CID101434001
Molecular FormulaC16H10Cl2N2
Molecular Weight301.18 g/mol
Exact Mass300.02
IUPAC Name2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine
SMILESClc1ccc(-c2ccccc2-c2ncccn2)cc1Cl
InChIInChI=1S/C16H10Cl2N2/c17-14-7-6-11(10-15(14)18)12-4-1-2-5-13(12)16-19-8-3-9-20-16/h1-10H
InChIKeyLBMIYVGFFKTKAS-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.18
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
3-(3,4-dichlorophenyl)pyridine-2-carbonitrile
CID 133095092
1,2-dichloro-4-(2-ethylphenyl)benzene
CID 67818201
1,2-dichloro-4-(2-methylsulfonylphenyl)benzene
CID 57061474
2-(2-phenyl-3-pyridinyl)pyrimidine
CID 58421043
3-(4-chloro-3-fluorophenyl)-2-methylpyridine
CID 90167635
3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine
CID 133091044
2-(3,4-dichlorophenyl)-4-methylpyrimidine
CID 21025841
1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625952
(4-chloro-3-pyrimidin-2-ylphenyl)methanol
CID 70522497
1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene
CID 134619644
4-chloro-3-pyrimidin-2-ylbenzaldehyde
CID 45278343

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine (CID 101434001) is 2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine is Clc1ccc(-c2ccccc2-c2ncccn2)cc1Cl.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine?
The InChIKey is LBMIYVGFFKTKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2/c17-14-7-6-11(10-15(14)18)12-4-1-2-5-13(12)16-19-8-3-9-20-16/h1-10H.
What are the key properties of 2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine?
2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine has a molecular weight of 301.18 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine is sourced from PubChem (CID 101434001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).