(5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone

C11H7BrFN3O2 — CID 175981578

IUPAC(5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncc(F)cc1C(=O)c1ncncc1Br
InChIInChI=1S/C11H7BrFN3O2/c1-18-11-7(2-6(13)3-15-11)10(17)9-8(12)4-14-5-16-9/h2-5H,1H3
InChIKeyCPVCEMRNSZWYOE-UHFFFAOYSA-N
MW312.10 g/mol
LogP2.01
Rot. Bonds3

About (5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone

(5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone (PubChem CID 175981578) has the molecular formula C11H7BrFN3O2 and a molecular weight of 312.10 g/mol. Its IUPAC name is (5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone
PubChem CID175981578
Molecular FormulaC11H7BrFN3O2
Molecular Weight312.10 g/mol
Exact Mass310.97
IUPAC Name(5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncc(F)cc1C(=O)c1ncncc1Br
InChIInChI=1S/C11H7BrFN3O2/c1-18-11-7(2-6(13)3-15-11)10(17)9-8(12)4-14-5-16-9/h2-5H,1H3
InChIKeyCPVCEMRNSZWYOE-UHFFFAOYSA-N
XLogP2.01
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.10
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone?
The IUPAC name of (5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone (CID 175981578) is (5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone is COc1ncc(F)cc1C(=O)c1ncncc1Br.
What is the InChIKey of (5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone?
The InChIKey is CPVCEMRNSZWYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O2/c1-18-11-7(2-6(13)3-15-11)10(17)9-8(12)4-14-5-16-9/h2-5H,1H3.
What are the key properties of (5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone?
(5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone has a molecular weight of 312.10 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromopyrimidin-4-yl)-(5-fluoro-2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 175981578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).