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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Related Compounds

ethyl 2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylate
CID 71742725
2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid
CID 118830549
2-(2,3,4-trichlorophenyl)pyrimidine-5-carboxylic acid
CID 118824968
2-(3-chloro-4-methylphenyl)pyrimidine-5-carboxylic acid
CID 24903647
5-(4-carboxy-6-chloro-3-pyridinyl)benzene-1,3-dicarboxylic acid
CID 53224362
6-chloro-5-fluoropyridine-3-carboxylic acid
CID 11513841
(2,5-dichloro-4-pyridinyl)-phenylmethanone
CID 6421230
6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
CID 158925044
2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid
CID 159095928
5-bromo-6-chloropyridine-3-carboxylic acid;hydrazine
CID 174723335
6-amino-5-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087190
6-(2-aminoethyl)-5-chloropyridine-3-carboxylic acid;hydrochloride
CID 68729153

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).