4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid

C15H9ClN2O3 — CID 172703253

IUPAC4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2cccc(Cl)c2-c2ccco2)n1
InChIInChI=1S/C15H9ClN2O3/c16-10-4-1-3-9(13(10)12-5-2-8-21-12)11-6-7-17-14(18-11)15(19)20/h1-8H,(H,19,20)
InChIKeyDFZSKBDAHLPTNT-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.76
Rot. Bonds3

About 4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid

4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid (PubChem CID 172703253) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid
PubChem CID172703253
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2cccc(Cl)c2-c2ccco2)n1
InChIInChI=1S/C15H9ClN2O3/c16-10-4-1-3-9(13(10)12-5-2-8-21-12)11-6-7-17-14(18-11)15(19)20/h1-8H,(H,19,20)
InChIKeyDFZSKBDAHLPTNT-UHFFFAOYSA-N
XLogP3.76
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-yl)pyrimidine-2-carboxylic acid
CID 82404248
4-[3-chloro-2-[cyclopropyl(hydroxy)methyl]phenyl]pyrimidine-2-carboxylic acid
CID 172729521
6-(furan-2-yl)pyridine-2-carboxylic acid
CID 24730128
8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 3853520
5-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 14006738
[2-chloro-6-(furan-2-yl)phenyl]methanamine
CID 174613355
4-(2,5-difluorophenyl)pyrimidine-2-carboxylic acid
CID 83919048
methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
5-chloro-4-(2-chlorophenyl)pyrimidine-2-carboxylic acid
CID 156842574
4-(2-methyl-5-propan-2-ylphenyl)pyrimidine-2-carboxylic acid
CID 116899759
2-[2-(furan-2-yl)phenyl]pyridine
CID 168525808
3-bromo-2-chloro-6-(furan-2-yl)benzoic acid
CID 168525828

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid?
The IUPAC name of 4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid (CID 172703253) is 4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid is O=C(O)c1nccc(-c2cccc(Cl)c2-c2ccco2)n1.
What is the InChIKey of 4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid?
The InChIKey is DFZSKBDAHLPTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-10-4-1-3-9(13(10)12-5-2-8-21-12)11-6-7-17-14(18-11)15(19)20/h1-8H,(H,19,20).
What are the key properties of 4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid?
4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid has a molecular weight of 300.70 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-(furan-2-yl)phenyl]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 172703253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).