2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid

C10H5Cl2N3O2 — CID 71742726

IUPAC2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(Cl)ncc2Cl)nc1
InChIInChI=1S/C10H5Cl2N3O2/c11-7-4-13-8(12)1-6(7)9-14-2-5(3-15-9)10(16)17/h1-4H,(H,16,17)
InChIKeyVJAVEGBIMMSEGM-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.54
Rot. Bonds2

About 2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid

2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid (PubChem CID 71742726) has the molecular formula C10H5Cl2N3O2 and a molecular weight of 270.08 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid
PubChem CID71742726
Molecular FormulaC10H5Cl2N3O2
Molecular Weight270.08 g/mol
Exact Mass268.98
IUPAC Name2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(Cl)ncc2Cl)nc1
InChIInChI=1S/C10H5Cl2N3O2/c11-7-4-13-8(12)1-6(7)9-14-2-5(3-15-9)10(16)17/h1-4H,(H,16,17)
InChIKeyVJAVEGBIMMSEGM-UHFFFAOYSA-N
XLogP2.54
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid (CID 71742726) is 2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2cc(Cl)ncc2Cl)nc1.
What is the InChIKey of 2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid?
The InChIKey is VJAVEGBIMMSEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3O2/c11-7-4-13-8(12)1-6(7)9-14-2-5(3-15-9)10(16)17/h1-4H,(H,16,17).
What are the key properties of 2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid?
2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid has a molecular weight of 270.08 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 71742726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).