(4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol

C13H10ClF2NO2 — CID 115828955

IUPAC(4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol
SMILESCOc1cncc(C(O)c2cc(F)c(Cl)cc2F)c1
InChIInChI=1S/C13H10ClF2NO2/c1-19-8-2-7(5-17-6-8)13(18)9-3-12(16)10(14)4-11(9)15/h2-6,13,18H,1H3
InChIKeySPOWPQDEHYOCQF-UHFFFAOYSA-N
MW285.68 g/mol
LogP3.10
Rot. Bonds3

About (4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol

(4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol (PubChem CID 115828955) has the molecular formula C13H10ClF2NO2 and a molecular weight of 285.68 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol
PubChem CID115828955
Molecular FormulaC13H10ClF2NO2
Molecular Weight285.68 g/mol
Exact Mass285.04
IUPAC Name(4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol
SMILESCOc1cncc(C(O)c2cc(F)c(Cl)cc2F)c1
InChIInChI=1S/C13H10ClF2NO2/c1-19-8-2-7(5-17-6-8)13(18)9-3-12(16)10(14)4-11(9)15/h2-6,13,18H,1H3
InChIKeySPOWPQDEHYOCQF-UHFFFAOYSA-N
XLogP3.10
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.68
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
CID 115828863
(5-fluoro-3-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 105121302
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 82772510
(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828878
(3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303239
(5-chlorofuran-2-yl)-(5-methoxy-3-pyridinyl)methanol
CID 106693953
[(4-chloro-2,5-difluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329963
(5-ethoxy-3-pyridinyl)-(2-fluoro-5-methylphenyl)methanol
CID 115828977
2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
CID 112575542
(5-bromo-2-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828827
(2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 114030462
(4-chloro-2,5-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837195

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol (CID 115828955) is (4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol is COc1cncc(C(O)c2cc(F)c(Cl)cc2F)c1.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol?
The InChIKey is SPOWPQDEHYOCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO2/c1-19-8-2-7(5-17-6-8)13(18)9-3-12(16)10(14)4-11(9)15/h2-6,13,18H,1H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol?
(4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol has a molecular weight of 285.68 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 115828955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).