4-chloro-3-(6-methyl-3-pyridinyl)phenol

C12H10ClNO — CID 175413661

IUPAC4-chloro-3-(6-methyl-3-pyridinyl)phenol
SMILESCc1ccc(-c2cc(O)ccc2Cl)cn1
InChIInChI=1S/C12H10ClNO/c1-8-2-3-9(7-14-8)11-6-10(15)4-5-12(11)13/h2-7,15H,1H3
InChIKeyGFGCWTVOIHPUQI-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.42
Rot. Bonds1

About 4-chloro-3-(6-methyl-3-pyridinyl)phenol

4-chloro-3-(6-methyl-3-pyridinyl)phenol (PubChem CID 175413661) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 4-chloro-3-(6-methyl-3-pyridinyl)phenol.

Molecular Properties

Compound Name4-chloro-3-(6-methyl-3-pyridinyl)phenol
PubChem CID175413661
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name4-chloro-3-(6-methyl-3-pyridinyl)phenol
SMILESCc1ccc(-c2cc(O)ccc2Cl)cn1
InChIInChI=1S/C12H10ClNO/c1-8-2-3-9(7-14-8)11-6-10(15)4-5-12(11)13/h2-7,15H,1H3
InChIKeyGFGCWTVOIHPUQI-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(6-methyl-3-pyridinyl)phenol?
The IUPAC name of 4-chloro-3-(6-methyl-3-pyridinyl)phenol (CID 175413661) is 4-chloro-3-(6-methyl-3-pyridinyl)phenol.
What is the SMILES notation for 4-chloro-3-(6-methyl-3-pyridinyl)phenol?
The canonical SMILES for 4-chloro-3-(6-methyl-3-pyridinyl)phenol is Cc1ccc(-c2cc(O)ccc2Cl)cn1.
What is the InChIKey of 4-chloro-3-(6-methyl-3-pyridinyl)phenol?
The InChIKey is GFGCWTVOIHPUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-8-2-3-9(7-14-8)11-6-10(15)4-5-12(11)13/h2-7,15H,1H3.
What are the key properties of 4-chloro-3-(6-methyl-3-pyridinyl)phenol?
4-chloro-3-(6-methyl-3-pyridinyl)phenol has a molecular weight of 219.67 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(6-methyl-3-pyridinyl)phenol is sourced from PubChem (CID 175413661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).