(3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol

C14H13FINO3 — CID 10318124

IUPAC(3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol
SMILESCOc1ccc(C(O)c2ccnc(I)c2F)cc1OC
InChIInChI=1S/C14H13FINO3/c1-19-10-4-3-8(7-11(10)20-2)13(18)9-5-6-17-14(16)12(9)15/h3-7,13,18H,1-2H3
InChIKeyPHNFYELSBJVCCZ-UHFFFAOYSA-N
MW389.16 g/mol
LogP2.92
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol

(3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol (PubChem CID 10318124) has the molecular formula C14H13FINO3 and a molecular weight of 389.16 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol
PubChem CID10318124
Molecular FormulaC14H13FINO3
Molecular Weight389.16 g/mol
Exact Mass388.99
IUPAC Name(3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol
SMILESCOc1ccc(C(O)c2ccnc(I)c2F)cc1OC
InChIInChI=1S/C14H13FINO3/c1-19-10-4-3-8(7-11(10)20-2)13(18)9-5-6-17-14(16)12(9)15/h3-7,13,18H,1-2H3
InChIKeyPHNFYELSBJVCCZ-UHFFFAOYSA-N
XLogP2.92
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol (CID 10318124) is (3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol is COc1ccc(C(O)c2ccnc(I)c2F)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol?
The InChIKey is PHNFYELSBJVCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO3/c1-19-10-4-3-8(7-11(10)20-2)13(18)9-5-6-17-14(16)12(9)15/h3-7,13,18H,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol?
(3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol has a molecular weight of 389.16 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(3-fluoro-2-iodo-4-pyridinyl)methanol is sourced from PubChem (CID 10318124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).