4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid

C16H10ClN3O2 — CID 87945105

IUPAC4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(Cl)nc3)nc2)ccn1
InChIInChI=1S/C16H10ClN3O2/c17-15-4-2-12(9-20-15)13-3-1-11(8-19-13)10-5-6-18-14(7-10)16(21)22/h1-9H,(H,21,22)
InChIKeyUOSJFDUJHJTTIG-UHFFFAOYSA-N
MW311.73 g/mol
LogP3.56
Rot. Bonds3

About 4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid

4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 87945105) has the molecular formula C16H10ClN3O2 and a molecular weight of 311.73 g/mol. Its IUPAC name is 4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid
PubChem CID87945105
Molecular FormulaC16H10ClN3O2
Molecular Weight311.73 g/mol
Exact Mass311.05
IUPAC Name4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(Cl)nc3)nc2)ccn1
InChIInChI=1S/C16H10ClN3O2/c17-15-4-2-12(9-20-15)13-3-1-11(8-19-13)10-5-6-18-14(7-10)16(21)22/h1-9H,(H,21,22)
InChIKeyUOSJFDUJHJTTIG-UHFFFAOYSA-N
XLogP3.56
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 53.56
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 4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid (CID 87945105) is 4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccc(Cl)nc3)nc2)ccn1.
What is the InChIKey of 4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is UOSJFDUJHJTTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O2/c17-15-4-2-12(9-20-15)13-3-1-11(8-19-13)10-5-6-18-14(7-10)16(21)22/h1-9H,(H,21,22).
What are the key properties of 4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid?
4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 311.73 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 87945105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).