2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid

C9H4BrClN2O3 — CID 82168601

IUPAC2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Br)o2)ncc1Cl
InChIInChI=1S/C9H4BrClN2O3/c10-6-2-1-5(16-6)8-12-3-4(11)7(13-8)9(14)15/h1-3H,(H,14,15)
InChIKeyJKFMZCJVGMPJMM-UHFFFAOYSA-N
MW303.50 g/mol
LogP2.85
Rot. Bonds2

About 2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid

2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid (PubChem CID 82168601) has the molecular formula C9H4BrClN2O3 and a molecular weight of 303.50 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid
PubChem CID82168601
Molecular FormulaC9H4BrClN2O3
Molecular Weight303.50 g/mol
Exact Mass301.91
IUPAC Name2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Br)o2)ncc1Cl
InChIInChI=1S/C9H4BrClN2O3/c10-6-2-1-5(16-6)8-12-3-4(11)7(13-8)9(14)15/h1-3H,(H,14,15)
InChIKeyJKFMZCJVGMPJMM-UHFFFAOYSA-N
XLogP2.85
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 82168579
5-chloro-2-(4-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 106511897
2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid
CID 106988492
5-chloro-2-(3-ethyl-4-pyridinyl)pyrimidine-4-carboxylic acid
CID 106511963
5-chloro-2-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
CID 106511978
5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 106512241
2-(5-bromofuran-2-yl)-4,6-dichloro-5-fluoropyrimidine
CID 80550973
2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566958
5-chloro-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide
CID 166292584
2-(5-bromofuran-2-yl)-4-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 114373776
2-(5-bromofuran-2-yl)-4-chloro-6-propan-2-ylpyrimidine
CID 43557769
2-(azetidin-1-yl)-5-chloropyrimidine-4-carboxylic acid
CID 84679906

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid (CID 82168601) is 2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2ccc(Br)o2)ncc1Cl.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid?
The InChIKey is JKFMZCJVGMPJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClN2O3/c10-6-2-1-5(16-6)8-12-3-4(11)7(13-8)9(14)15/h1-3H,(H,14,15).
What are the key properties of 2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid?
2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid has a molecular weight of 303.50 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5-chloropyrimidine-4-carboxylic acid is sourced from PubChem (CID 82168601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).