(6-chloro-2-methyl-3-pyridinyl)-phenylmethanol

C13H12ClNO — CID 102546990

IUPAC(6-chloro-2-methyl-3-pyridinyl)-phenylmethanol
SMILESCc1nc(Cl)ccc1C(O)c1ccccc1
InChIInChI=1S/C13H12ClNO/c1-9-11(7-8-12(14)15-9)13(16)10-5-3-2-4-6-10/h2-8,13,16H,1H3
InChIKeyWFYODFWRUWJRSB-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.13
Rot. Bonds2

About (6-chloro-2-methyl-3-pyridinyl)-phenylmethanol

(6-chloro-2-methyl-3-pyridinyl)-phenylmethanol (PubChem CID 102546990) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is (6-chloro-2-methyl-3-pyridinyl)-phenylmethanol.

Molecular Properties

Compound Name(6-chloro-2-methyl-3-pyridinyl)-phenylmethanol
PubChem CID102546990
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name(6-chloro-2-methyl-3-pyridinyl)-phenylmethanol
SMILESCc1nc(Cl)ccc1C(O)c1ccccc1
InChIInChI=1S/C13H12ClNO/c1-9-11(7-8-12(14)15-9)13(16)10-5-3-2-4-6-10/h2-8,13,16H,1H3
InChIKeyWFYODFWRUWJRSB-UHFFFAOYSA-N
XLogP3.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (6-chloro-2-methyl-3-pyridinyl)-phenylmethanol?
The IUPAC name of (6-chloro-2-methyl-3-pyridinyl)-phenylmethanol (CID 102546990) is (6-chloro-2-methyl-3-pyridinyl)-phenylmethanol.
What is the SMILES notation for (6-chloro-2-methyl-3-pyridinyl)-phenylmethanol?
The canonical SMILES for (6-chloro-2-methyl-3-pyridinyl)-phenylmethanol is Cc1nc(Cl)ccc1C(O)c1ccccc1.
What is the InChIKey of (6-chloro-2-methyl-3-pyridinyl)-phenylmethanol?
The InChIKey is WFYODFWRUWJRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-11(7-8-12(14)15-9)13(16)10-5-3-2-4-6-10/h2-8,13,16H,1H3.
What are the key properties of (6-chloro-2-methyl-3-pyridinyl)-phenylmethanol?
(6-chloro-2-methyl-3-pyridinyl)-phenylmethanol has a molecular weight of 233.70 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methyl-3-pyridinyl)-phenylmethanol is sourced from PubChem (CID 102546990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).