[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol

C8H8F2INO2 — CID 130085739

IUPAC[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
SMILESCOc1cnc(CO)c(I)c1C(F)F
InChIInChI=1S/C8H8F2INO2/c1-14-5-2-12-4(3-13)7(11)6(5)8(9)10/h2,8,13H,3H2,1H3
InChIKeyTXZMUDKYZLAVNK-UHFFFAOYSA-N
MW315.06 g/mol
LogP2.12
Rot. Bonds3

About [4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol

[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol (PubChem CID 130085739) has the molecular formula C8H8F2INO2 and a molecular weight of 315.06 g/mol. Its IUPAC name is [4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
PubChem CID130085739
Molecular FormulaC8H8F2INO2
Molecular Weight315.06 g/mol
Exact Mass314.96
IUPAC Name[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
SMILESCOc1cnc(CO)c(I)c1C(F)F
InChIInChI=1S/C8H8F2INO2/c1-14-5-2-12-4(3-13)7(11)6(5)8(9)10/h2,8,13H,3H2,1H3
InChIKeyTXZMUDKYZLAVNK-UHFFFAOYSA-N
XLogP2.12
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.06
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-2-(hydroxymethyl)-5-methoxypyridin-3-ol
CID 118835243
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate
CID 133102055
4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxamide
CID 118835097
[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118824102
[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666948
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine
CID 118854941
methyl 2-[4-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
CID 133101449
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine
CID 130085536
2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile
CID 118823951

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol?
The IUPAC name of [4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol (CID 130085739) is [4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol?
The canonical SMILES for [4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol is COc1cnc(CO)c(I)c1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol?
The InChIKey is TXZMUDKYZLAVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2INO2/c1-14-5-2-12-4(3-13)7(11)6(5)8(9)10/h2,8,13H,3H2,1H3.
What are the key properties of [4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol?
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol has a molecular weight of 315.06 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol is sourced from PubChem (CID 130085739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).