(3-fluoro-5-iodo-4-pyridinyl)methanol

C6H5FINO — CID 130781632

IUPAC(3-fluoro-5-iodo-4-pyridinyl)methanol
SMILESOCc1c(F)cncc1I
InChIInChI=1S/C6H5FINO/c7-5-1-9-2-6(8)4(5)3-10/h1-2,10H,3H2
InChIKeyYJIGAVLEXCUFBT-UHFFFAOYSA-N
MW253.01 g/mol
LogP1.32
Rot. Bonds1

About (3-fluoro-5-iodo-4-pyridinyl)methanol

(3-fluoro-5-iodo-4-pyridinyl)methanol (PubChem CID 130781632) has the molecular formula C6H5FINO and a molecular weight of 253.01 g/mol. Its IUPAC name is (3-fluoro-5-iodo-4-pyridinyl)methanol.

Molecular Properties

Compound Name(3-fluoro-5-iodo-4-pyridinyl)methanol
PubChem CID130781632
Molecular FormulaC6H5FINO
Molecular Weight253.01 g/mol
Exact Mass252.94
IUPAC Name(3-fluoro-5-iodo-4-pyridinyl)methanol
SMILESOCc1c(F)cncc1I
InChIInChI=1S/C6H5FINO/c7-5-1-9-2-6(8)4(5)3-10/h1-2,10H,3H2
InChIKeyYJIGAVLEXCUFBT-UHFFFAOYSA-N
XLogP1.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.01
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-3-fluoro-5-iodopyridine
CID 130881845
methyl 2-(3-fluoro-5-iodo-4-pyridinyl)acetate
CID 130837858
3-(3,5-difluoro-4-pyridinyl)propan-1-ol
CID 164650630
(2-bromo-3-fluoro-6-iodophenyl)methanol
CID 131332714
3-fluoro-5-iodo-4-phenylpyridine
CID 131220912
4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine
CID 130096727
(7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol
CID 131099118
[5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol
CID 130080191
3-fluoro-2-(hydroxymethyl)-6-iodobenzonitrile
CID 131342076
2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid
CID 131870069
2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride
CID 162344202
(2,5-dibromo-3-fluoro-4-pyridinyl)methanol
CID 134818539

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-iodo-4-pyridinyl)methanol?
The IUPAC name of (3-fluoro-5-iodo-4-pyridinyl)methanol (CID 130781632) is (3-fluoro-5-iodo-4-pyridinyl)methanol.
What is the SMILES notation for (3-fluoro-5-iodo-4-pyridinyl)methanol?
The canonical SMILES for (3-fluoro-5-iodo-4-pyridinyl)methanol is OCc1c(F)cncc1I.
What is the InChIKey of (3-fluoro-5-iodo-4-pyridinyl)methanol?
The InChIKey is YJIGAVLEXCUFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FINO/c7-5-1-9-2-6(8)4(5)3-10/h1-2,10H,3H2.
What are the key properties of (3-fluoro-5-iodo-4-pyridinyl)methanol?
(3-fluoro-5-iodo-4-pyridinyl)methanol has a molecular weight of 253.01 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-iodo-4-pyridinyl)methanol is sourced from PubChem (CID 130781632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).