2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine

C11H9ClF2N2O — CID 135283322

IUPAC2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine
SMILESCOC1(F)C=CC=CC1c1nc(Cl)ncc1F
InChIInChI=1S/C11H9ClF2N2O/c1-17-11(14)5-3-2-4-7(11)9-8(13)6-15-10(12)16-9/h2-7H,1H3
InChIKeyWPQXQSRWXIRJKN-UHFFFAOYSA-N
MW258.66 g/mol
LogP2.79
Rot. Bonds2

About 2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine

2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine (PubChem CID 135283322) has the molecular formula C11H9ClF2N2O and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine
PubChem CID135283322
Molecular FormulaC11H9ClF2N2O
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine
SMILESCOC1(F)C=CC=CC1c1nc(Cl)ncc1F
InChIInChI=1S/C11H9ClF2N2O/c1-17-11(14)5-3-2-4-7(11)9-8(13)6-15-10(12)16-9/h2-7H,1H3
InChIKeyWPQXQSRWXIRJKN-UHFFFAOYSA-N
XLogP2.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine (CID 135283322) is 2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine is COC1(F)C=CC=CC1c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine?
The InChIKey is WPQXQSRWXIRJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2O/c1-17-11(14)5-3-2-4-7(11)9-8(13)6-15-10(12)16-9/h2-7H,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine?
2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine has a molecular weight of 258.66 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine is sourced from PubChem (CID 135283322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).