2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid

C11H7Cl2N3O2 — CID 79780842

IUPAC2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C11H7Cl2N3O2/c1-5-2-8(11(17)18)16-10(15-5)9-7(13)3-6(12)4-14-9/h2-4H,1H3,(H,17,18)
InChIKeyPBGVGYJPIGSREJ-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.85
Rot. Bonds2

About 2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid

2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 79780842) has the molecular formula C11H7Cl2N3O2 and a molecular weight of 284.10 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid
PubChem CID79780842
Molecular FormulaC11H7Cl2N3O2
Molecular Weight284.10 g/mol
Exact Mass282.99
IUPAC Name2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C11H7Cl2N3O2/c1-5-2-8(11(17)18)16-10(15-5)9-7(13)3-6(12)4-14-9/h2-4H,1H3,(H,17,18)
InChIKeyPBGVGYJPIGSREJ-UHFFFAOYSA-N
XLogP2.85
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid (CID 79780842) is 2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(-c2ncc(Cl)cc2Cl)n1.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is PBGVGYJPIGSREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O2/c1-5-2-8(11(17)18)16-10(15-5)9-7(13)3-6(12)4-14-9/h2-4H,1H3,(H,17,18).
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid?
2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 284.10 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-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 79780842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).