(6-chloro-5-methoxy-3-pyridinyl)methanol

C7H8ClNO2 — CID 59297074

IUPAC(6-chloro-5-methoxy-3-pyridinyl)methanol
SMILESCOc1cc(CO)cnc1Cl
InChIInChI=1S/C7H8ClNO2/c1-11-6-2-5(4-10)3-9-7(6)8/h2-3,10H,4H2,1H3
InChIKeyRZQRRUODDCZJOA-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.24
Rot. Bonds2

About (6-chloro-5-methoxy-3-pyridinyl)methanol

(6-chloro-5-methoxy-3-pyridinyl)methanol (PubChem CID 59297074) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is (6-chloro-5-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(6-chloro-5-methoxy-3-pyridinyl)methanol
PubChem CID59297074
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Name(6-chloro-5-methoxy-3-pyridinyl)methanol
SMILESCOc1cc(CO)cnc1Cl
InChIInChI=1S/C7H8ClNO2/c1-11-6-2-5(4-10)3-9-7(6)8/h2-3,10H,4H2,1H3
InChIKeyRZQRRUODDCZJOA-UHFFFAOYSA-N
XLogP1.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.24
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 (6-chloro-5-methoxy-3-pyridinyl)methanol?
The IUPAC name of (6-chloro-5-methoxy-3-pyridinyl)methanol (CID 59297074) is (6-chloro-5-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for (6-chloro-5-methoxy-3-pyridinyl)methanol?
The canonical SMILES for (6-chloro-5-methoxy-3-pyridinyl)methanol is COc1cc(CO)cnc1Cl.
What is the InChIKey of (6-chloro-5-methoxy-3-pyridinyl)methanol?
The InChIKey is RZQRRUODDCZJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c1-11-6-2-5(4-10)3-9-7(6)8/h2-3,10H,4H2,1H3.
What are the key properties of (6-chloro-5-methoxy-3-pyridinyl)methanol?
(6-chloro-5-methoxy-3-pyridinyl)methanol has a molecular weight of 173.60 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 59297074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).