2-(3-fluoro-4-methoxyphenyl)pyrimidine

C11H9FN2O — CID 134263784

IUPAC2-(3-fluoro-4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2ncccn2)cc1F
InChIInChI=1S/C11H9FN2O/c1-15-10-4-3-8(7-9(10)12)11-13-5-2-6-14-11/h2-7H,1H3
InChIKeyYVRGMBNZDWBAJN-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.29
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)pyrimidine

2-(3-fluoro-4-methoxyphenyl)pyrimidine (PubChem CID 134263784) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)pyrimidine
PubChem CID134263784
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name2-(3-fluoro-4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2ncccn2)cc1F
InChIInChI=1S/C11H9FN2O/c1-15-10-4-3-8(7-9(10)12)11-13-5-2-6-14-11/h2-7H,1H3
InChIKeyYVRGMBNZDWBAJN-UHFFFAOYSA-N
XLogP2.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-triazol-1-yl]pyridine
CID 166328999
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 175424034
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
2-(3-fluoro-4-methoxyphenyl)pyridine-4-carboxylic acid
CID 53223378
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012
5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
CID 62920233
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
CID 62795072
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 66303209

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)pyrimidine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)pyrimidine (CID 134263784) is 2-(3-fluoro-4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)pyrimidine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)pyrimidine is COc1ccc(-c2ncccn2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)pyrimidine?
The InChIKey is YVRGMBNZDWBAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-15-10-4-3-8(7-9(10)12)11-13-5-2-6-14-11/h2-7H,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)pyrimidine?
2-(3-fluoro-4-methoxyphenyl)pyrimidine has a molecular weight of 204.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 134263784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).