4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine

C11H8ClFN2 — CID 61219333

IUPAC4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine
SMILESFc1cccc(Cc2nccc(Cl)n2)c1
InChIInChI=1S/C11H8ClFN2/c12-10-4-5-14-11(15-10)7-8-2-1-3-9(13)6-8/h1-6H,7H2
InChIKeyLQYPHCYEJDLQRC-UHFFFAOYSA-N
MW222.65 g/mol
LogP2.86
Rot. Bonds2

About 4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine

4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine (PubChem CID 61219333) has the molecular formula C11H8ClFN2 and a molecular weight of 222.65 g/mol. Its IUPAC name is 4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine
PubChem CID61219333
Molecular FormulaC11H8ClFN2
Molecular Weight222.65 g/mol
Exact Mass222.04
IUPAC Name4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine
SMILESFc1cccc(Cc2nccc(Cl)n2)c1
InChIInChI=1S/C11H8ClFN2/c12-10-4-5-14-11(15-10)7-8-2-1-3-9(13)6-8/h1-6H,7H2
InChIKeyLQYPHCYEJDLQRC-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine
CID 60864984
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62748294
2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine
CID 114830495
2-[(3-fluorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66304332
2-chloro-6-[2-(3-fluorophenyl)ethoxy]pyridine
CID 86649742
6-chloro-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130371
2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine
CID 133188343
[4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324906
3-(chloromethyl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 43120187
N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine
CID 66302302
5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole
CID 63108845
3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 65269198

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine?
The IUPAC name of 4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine (CID 61219333) is 4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine?
The canonical SMILES for 4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine is Fc1cccc(Cc2nccc(Cl)n2)c1.
What is the InChIKey of 4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine?
The InChIKey is LQYPHCYEJDLQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2/c12-10-4-5-14-11(15-10)7-8-2-1-3-9(13)6-8/h1-6H,7H2.
What are the key properties of 4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine?
4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine has a molecular weight of 222.65 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine is sourced from PubChem (CID 61219333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).