(6-fluoro-4-iodo-3-pyridinyl)carbamic acid

C6H4FIN2O2 — CID 66674148

IUPAC(6-fluoro-4-iodo-3-pyridinyl)carbamic acid
SMILESO=C(O)Nc1cnc(F)cc1I
InChIInChI=1S/C6H4FIN2O2/c7-5-1-3(8)4(2-9-5)10-6(11)12/h1-2,10H,(H,11,12)
InChIKeyHCKJDOXXZGUAPK-UHFFFAOYSA-N
MW282.01 g/mol
LogP1.92
Rot. Bonds1

About (6-fluoro-4-iodo-3-pyridinyl)carbamic acid

(6-fluoro-4-iodo-3-pyridinyl)carbamic acid (PubChem CID 66674148) has the molecular formula C6H4FIN2O2 and a molecular weight of 282.01 g/mol. Its IUPAC name is (6-fluoro-4-iodo-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(6-fluoro-4-iodo-3-pyridinyl)carbamic acid
PubChem CID66674148
Molecular FormulaC6H4FIN2O2
Molecular Weight282.01 g/mol
Exact Mass281.93
IUPAC Name(6-fluoro-4-iodo-3-pyridinyl)carbamic acid
SMILESO=C(O)Nc1cnc(F)cc1I
InChIInChI=1S/C6H4FIN2O2/c7-5-1-3(8)4(2-9-5)10-6(11)12/h1-2,10H,(H,11,12)
InChIKeyHCKJDOXXZGUAPK-UHFFFAOYSA-N
XLogP1.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.01
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (6-fluoro-4-iodo-3-pyridinyl)carbamic acid?
The IUPAC name of (6-fluoro-4-iodo-3-pyridinyl)carbamic acid (CID 66674148) is (6-fluoro-4-iodo-3-pyridinyl)carbamic acid.
What is the SMILES notation for (6-fluoro-4-iodo-3-pyridinyl)carbamic acid?
The canonical SMILES for (6-fluoro-4-iodo-3-pyridinyl)carbamic acid is O=C(O)Nc1cnc(F)cc1I.
What is the InChIKey of (6-fluoro-4-iodo-3-pyridinyl)carbamic acid?
The InChIKey is HCKJDOXXZGUAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FIN2O2/c7-5-1-3(8)4(2-9-5)10-6(11)12/h1-2,10H,(H,11,12).
What are the key properties of (6-fluoro-4-iodo-3-pyridinyl)carbamic acid?
(6-fluoro-4-iodo-3-pyridinyl)carbamic acid has a molecular weight of 282.01 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-iodo-3-pyridinyl)carbamic acid is sourced from PubChem (CID 66674148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).