4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine

C13H11ClF2N2O2 — CID 43654747

IUPAC4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine
SMILESCCOc1cc(-c2nccc(Cl)n2)ccc1OC(F)F
InChIInChI=1S/C13H11ClF2N2O2/c1-2-19-10-7-8(3-4-9(10)20-13(15)16)12-17-6-5-11(14)18-12/h3-7,13H,2H2,1H3
InChIKeyFBNLURCDDAARFL-UHFFFAOYSA-N
MW300.69 g/mol
LogP3.80
Rot. Bonds5

About 4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine

4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine (PubChem CID 43654747) has the molecular formula C13H11ClF2N2O2 and a molecular weight of 300.69 g/mol. Its IUPAC name is 4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine
PubChem CID43654747
Molecular FormulaC13H11ClF2N2O2
Molecular Weight300.69 g/mol
Exact Mass300.05
IUPAC Name4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine
SMILESCCOc1cc(-c2nccc(Cl)n2)ccc1OC(F)F
InChIInChI=1S/C13H11ClF2N2O2/c1-2-19-10-7-8(3-4-9(10)20-13(15)16)12-17-6-5-11(14)18-12/h3-7,13H,2H2,1H3
InChIKeyFBNLURCDDAARFL-UHFFFAOYSA-N
XLogP3.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.69
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine
CID 62251868
3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine
CID 115914318
4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine
CID 62482978
2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole
CID 19552698
6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine
CID 64690125
2-[(3,4-diethoxyphenyl)methyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
CID 19542580
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione
CID 4867940
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-thione
CID 51391247
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonylmethyl]-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole
CID 47022727
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
CID 4867894
4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine
CID 60996659

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine?
The IUPAC name of 4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine (CID 43654747) is 4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine?
The canonical SMILES for 4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine is CCOc1cc(-c2nccc(Cl)n2)ccc1OC(F)F.
What is the InChIKey of 4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine?
The InChIKey is FBNLURCDDAARFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2/c1-2-19-10-7-8(3-4-9(10)20-13(15)16)12-17-6-5-11(14)18-12/h3-7,13H,2H2,1H3.
What are the key properties of 4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine?
4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine has a molecular weight of 300.69 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine is sourced from PubChem (CID 43654747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).