(2-chloropyrimidin-4-yl) 2-fluorobenzoate

C11H6ClFN2O2 — CID 154928170

IUPAC(2-chloropyrimidin-4-yl) 2-fluorobenzoate
SMILESO=C(Oc1ccnc(Cl)n1)c1ccccc1F
InChIInChI=1S/C11H6ClFN2O2/c12-11-14-6-5-9(15-11)17-10(16)7-3-1-2-4-8(7)13/h1-6H
InChIKeyHKJUNLAHQGIPGZ-UHFFFAOYSA-N
MW252.63 g/mol
LogP2.49
Rot. Bonds2

About (2-chloropyrimidin-4-yl) 2-fluorobenzoate

(2-chloropyrimidin-4-yl) 2-fluorobenzoate (PubChem CID 154928170) has the molecular formula C11H6ClFN2O2 and a molecular weight of 252.63 g/mol. Its IUPAC name is (2-chloropyrimidin-4-yl) 2-fluorobenzoate.

Molecular Properties

Compound Name(2-chloropyrimidin-4-yl) 2-fluorobenzoate
PubChem CID154928170
Molecular FormulaC11H6ClFN2O2
Molecular Weight252.63 g/mol
Exact Mass252.01
IUPAC Name(2-chloropyrimidin-4-yl) 2-fluorobenzoate
SMILESO=C(Oc1ccnc(Cl)n1)c1ccccc1F
InChIInChI=1S/C11H6ClFN2O2/c12-11-14-6-5-9(15-11)17-10(16)7-3-1-2-4-8(7)13/h1-6H
InChIKeyHKJUNLAHQGIPGZ-UHFFFAOYSA-N
XLogP2.49
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.63
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-Pyrimidinyloxy)phenyl]-1-ethanone
CID 2764392
4-[(2-Chloro-5-fluoro-4-pyrimidinyl)oxy]benzaldehyde
CID 1714314
4-(Pyrimidin-2-yloxy)-benzoic acid
CID 2763568
2-Chloro-4-benzyloxy-5-fluoropyrimidine
CID 12864088
4-(Benzyloxy)-2-chloropyrimidine
CID 15133237
3-(Pyrimidin-2-yloxy)benzoic acid
CID 2763560
(3Z)-3-[(2,4-dimethoxypyrimidin-5-yl)methylene]isobenzofuran-1-one
CID 5468846
2-Chloro-4-[(2-fluorophenyl)methoxy]pyrimidine
CID 63937747
Pyrimidinyl benzoate
CID 19992802
2-(Pyrimidin-2-yloxy)benzoic acid
CID 21972447
(2-Benzoyloxy-5-ethynyl-pyrimidin-4-yl) benzoate
CID 5273944
methyl (E)-3-methoxy-2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-yl]oxyphenyl]prop-2-enoate
CID 22882972

Frequently Asked Questions

What is the IUPAC name of (2-chloropyrimidin-4-yl) 2-fluorobenzoate?
The IUPAC name of (2-chloropyrimidin-4-yl) 2-fluorobenzoate (CID 154928170) is (2-chloropyrimidin-4-yl) 2-fluorobenzoate.
What is the SMILES notation for (2-chloropyrimidin-4-yl) 2-fluorobenzoate?
The canonical SMILES for (2-chloropyrimidin-4-yl) 2-fluorobenzoate is O=C(Oc1ccnc(Cl)n1)c1ccccc1F.
What is the InChIKey of (2-chloropyrimidin-4-yl) 2-fluorobenzoate?
The InChIKey is HKJUNLAHQGIPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O2/c12-11-14-6-5-9(15-11)17-10(16)7-3-1-2-4-8(7)13/h1-6H.
What are the key properties of (2-chloropyrimidin-4-yl) 2-fluorobenzoate?
(2-chloropyrimidin-4-yl) 2-fluorobenzoate has a molecular weight of 252.63 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloropyrimidin-4-yl) 2-fluorobenzoate is sourced from PubChem (CID 154928170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).