(2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol

C13H12ClFN2O2 — CID 174161509

IUPAC(2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol
SMILESCOc1cncc(C(O)c2ccnc(Cl)c2F)c1C
InChIInChI=1S/C13H12ClFN2O2/c1-7-9(5-16-6-10(7)19-2)12(18)8-3-4-17-13(14)11(8)15/h3-6,12,18H,1-2H3
InChIKeyOHXOMDCHQFIXRP-UHFFFAOYSA-N
MW282.70 g/mol
LogP2.67
Rot. Bonds3

About (2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol

(2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol (PubChem CID 174161509) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is (2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol
PubChem CID174161509
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name(2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol
SMILESCOc1cncc(C(O)c2ccnc(Cl)c2F)c1C
InChIInChI=1S/C13H12ClFN2O2/c1-7-9(5-16-6-10(7)19-2)12(18)8-3-4-17-13(14)11(8)15/h3-6,12,18H,1-2H3
InChIKeyOHXOMDCHQFIXRP-UHFFFAOYSA-N
XLogP2.67
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 52.67
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 (2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol?
The IUPAC name of (2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol (CID 174161509) is (2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol?
The canonical SMILES for (2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol is COc1cncc(C(O)c2ccnc(Cl)c2F)c1C.
What is the InChIKey of (2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol?
The InChIKey is OHXOMDCHQFIXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-7-9(5-16-6-10(7)19-2)12(18)8-3-4-17-13(14)11(8)15/h3-6,12,18H,1-2H3.
What are the key properties of (2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol?
(2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol has a molecular weight of 282.70 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluoro-4-pyridinyl)-(5-methoxy-4-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 174161509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).