4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine

C11H8ClFN2O — CID 105371106

IUPAC4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cncnc2Cl)cc1F
InChIInChI=1S/C11H8ClFN2O/c1-16-10-3-2-7(4-9(10)13)8-5-14-6-15-11(8)12/h2-6H,1H3
InChIKeyODNZQIZMQNOWJL-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.94
Rot. Bonds2

About 4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine

4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine (PubChem CID 105371106) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine
PubChem CID105371106
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cncnc2Cl)cc1F
InChIInChI=1S/C11H8ClFN2O/c1-16-10-3-2-7(4-9(10)13)8-5-14-6-15-11(8)12/h2-6H,1H3
InChIKeyODNZQIZMQNOWJL-UHFFFAOYSA-N
XLogP2.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-(6-methoxy-3-pyridinyl)pyrimidine
CID 105371014
2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 79079653
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine
CID 116823316
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine
CID 46831438
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine (CID 105371106) is 4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine is COc1ccc(-c2cncnc2Cl)cc1F.
What is the InChIKey of 4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine?
The InChIKey is ODNZQIZMQNOWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-16-10-3-2-7(4-9(10)13)8-5-14-6-15-11(8)12/h2-6H,1H3.
What are the key properties of 4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine?
4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine has a molecular weight of 238.65 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-fluoro-4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 105371106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).