bis(2-chloro-3-pyridinyl)methanol

C11H8Cl2N2O — CID 14691920

IUPACbis(2-chloro-3-pyridinyl)methanol
SMILESOC(c1cccnc1Cl)c1cccnc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-10-7(3-1-5-14-10)9(16)8-4-2-6-15-11(8)13/h1-6,9,16H
InChIKeyRWRCQWJOGJPUEU-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.87
Rot. Bonds2

About bis(2-chloro-3-pyridinyl)methanol

bis(2-chloro-3-pyridinyl)methanol (PubChem CID 14691920) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is bis(2-chloro-3-pyridinyl)methanol.

Molecular Properties

Compound Namebis(2-chloro-3-pyridinyl)methanol
PubChem CID14691920
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Namebis(2-chloro-3-pyridinyl)methanol
SMILESOC(c1cccnc1Cl)c1cccnc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-10-7(3-1-5-14-10)9(16)8-4-2-6-15-11(8)13/h1-6,9,16H
InChIKeyRWRCQWJOGJPUEU-UHFFFAOYSA-N
XLogP2.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 bis(2-chloro-3-pyridinyl)methanol?
The IUPAC name of bis(2-chloro-3-pyridinyl)methanol (CID 14691920) is bis(2-chloro-3-pyridinyl)methanol.
What is the SMILES notation for bis(2-chloro-3-pyridinyl)methanol?
The canonical SMILES for bis(2-chloro-3-pyridinyl)methanol is OC(c1cccnc1Cl)c1cccnc1Cl.
What is the InChIKey of bis(2-chloro-3-pyridinyl)methanol?
The InChIKey is RWRCQWJOGJPUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-10-7(3-1-5-14-10)9(16)8-4-2-6-15-11(8)13/h1-6,9,16H.
What are the key properties of bis(2-chloro-3-pyridinyl)methanol?
bis(2-chloro-3-pyridinyl)methanol has a molecular weight of 255.10 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloro-3-pyridinyl)methanol is sourced from PubChem (CID 14691920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).