4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine

C11H7Cl2FN2 — CID 67028539

IUPAC4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine
SMILESFC(c1ccncn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H7Cl2FN2/c12-8-3-1-2-7(10(8)13)11(14)9-4-5-15-6-16-9/h1-6,11H
InChIKeyNGQRNSIGQFPUNE-UHFFFAOYSA-N
MW257.10 g/mol
LogP3.84
Rot. Bonds2

About 4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine

4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine (PubChem CID 67028539) has the molecular formula C11H7Cl2FN2 and a molecular weight of 257.10 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine
PubChem CID67028539
Molecular FormulaC11H7Cl2FN2
Molecular Weight257.10 g/mol
Exact Mass256.00
IUPAC Name4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine
SMILESFC(c1ccncn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H7Cl2FN2/c12-8-3-1-2-7(10(8)13)11(14)9-4-5-15-6-16-9/h1-6,11H
InChIKeyNGQRNSIGQFPUNE-UHFFFAOYSA-N
XLogP3.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)-pyrimidin-4-ylmethyl]propan-1-amine
CID 63987505
[2-(2,6-dichlorophenyl)-1-pyrimidin-4-ylethyl]hydrazine
CID 105220906
(1R)-1-(2,3-dichlorophenyl)-2-pyridin-4-ylethanol
CID 129368105
4-[2-(2,3-dichlorophenyl)propyl]pyridine
CID 143835492
(2,3-dichlorophenyl)-pyridin-2-ylmethanol
CID 62791139
2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988550
(2,3-dimethylphenyl)-pyrimidin-4-ylmethanol
CID 63988087
(2,3-dichlorophenyl)methanediamine
CID 139660481
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride
CID 170918813
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
2-[1-chloro-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66461007

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine?
The IUPAC name of 4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine (CID 67028539) is 4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine?
The canonical SMILES for 4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine is FC(c1ccncn1)c1cccc(Cl)c1Cl.
What is the InChIKey of 4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine?
The InChIKey is NGQRNSIGQFPUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2/c12-8-3-1-2-7(10(8)13)11(14)9-4-5-15-6-16-9/h1-6,11H.
What are the key properties of 4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine?
4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine has a molecular weight of 257.10 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)-fluoromethyl]pyrimidine is sourced from PubChem (CID 67028539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).