2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine

C11H7Cl2FN2 — CID 82299783

IUPAC2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine
SMILESCc1cc(-c2cc(Cl)nc(Cl)n2)ccc1F
InChIInChI=1S/C11H7Cl2FN2/c1-6-4-7(2-3-8(6)14)9-5-10(12)16-11(13)15-9/h2-5H,1H3
InChIKeyZIWBDKVZWCNPIY-UHFFFAOYSA-N
MW257.10 g/mol
LogP3.90
Rot. Bonds1

About 2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine

2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine (PubChem CID 82299783) has the molecular formula C11H7Cl2FN2 and a molecular weight of 257.10 g/mol. Its IUPAC name is 2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine
PubChem CID82299783
Molecular FormulaC11H7Cl2FN2
Molecular Weight257.10 g/mol
Exact Mass256.00
IUPAC Name2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine
SMILESCc1cc(-c2cc(Cl)nc(Cl)n2)ccc1F
InChIInChI=1S/C11H7Cl2FN2/c1-6-4-7(2-3-8(6)14)9-5-10(12)16-11(13)15-9/h2-5H,1H3
InChIKeyZIWBDKVZWCNPIY-UHFFFAOYSA-N
XLogP3.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]-N-propan-2-ylpropan-2-amine;ethane
CID 144795868
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 107290420
4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563210
2,4-dichloro-6-phenylpyrimidine;ethane
CID 143206221
4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
CID 63612311
4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine
CID 80550185
1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone
CID 116895335
2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine
CID 115504189
2,4-dichloro-6-(4-methylphenyl)pyridine
CID 90948532
4-(4-fluoro-3-methylphenyl)imidazole-1,2-diamine
CID 82283259
7-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridin-6-amine
CID 84756336
4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802815

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine?
The IUPAC name of 2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine (CID 82299783) is 2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine?
The canonical SMILES for 2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine is Cc1cc(-c2cc(Cl)nc(Cl)n2)ccc1F.
What is the InChIKey of 2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine?
The InChIKey is ZIWBDKVZWCNPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2/c1-6-4-7(2-3-8(6)14)9-5-10(12)16-11(13)15-9/h2-5H,1H3.
What are the key properties of 2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine?
2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine has a molecular weight of 257.10 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine is sourced from PubChem (CID 82299783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).