(5-iodo-2-methoxy-3-pyridinyl)carbamic acid

C7H7IN2O3 — CID 118251524

IUPAC(5-iodo-2-methoxy-3-pyridinyl)carbamic acid
SMILESCOc1ncc(I)cc1NC(=O)O
InChIInChI=1S/C7H7IN2O3/c1-13-6-5(10-7(11)12)2-4(8)3-9-6/h2-3,10H,1H3,(H,11,12)
InChIKeyHUMWMNZOOFLSCY-UHFFFAOYSA-N
MW294.05 g/mol
LogP1.78
Rot. Bonds2

About (5-iodo-2-methoxy-3-pyridinyl)carbamic acid

(5-iodo-2-methoxy-3-pyridinyl)carbamic acid (PubChem CID 118251524) has the molecular formula C7H7IN2O3 and a molecular weight of 294.05 g/mol. Its IUPAC name is (5-iodo-2-methoxy-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(5-iodo-2-methoxy-3-pyridinyl)carbamic acid
PubChem CID118251524
Molecular FormulaC7H7IN2O3
Molecular Weight294.05 g/mol
Exact Mass293.95
IUPAC Name(5-iodo-2-methoxy-3-pyridinyl)carbamic acid
SMILESCOc1ncc(I)cc1NC(=O)O
InChIInChI=1S/C7H7IN2O3/c1-13-6-5(10-7(11)12)2-4(8)3-9-6/h2-3,10H,1H3,(H,11,12)
InChIKeyHUMWMNZOOFLSCY-UHFFFAOYSA-N
XLogP1.78
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.05
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-iodo-2-methoxy-3-pyridinyl)carbamic acid?
The IUPAC name of (5-iodo-2-methoxy-3-pyridinyl)carbamic acid (CID 118251524) is (5-iodo-2-methoxy-3-pyridinyl)carbamic acid.
What is the SMILES notation for (5-iodo-2-methoxy-3-pyridinyl)carbamic acid?
The canonical SMILES for (5-iodo-2-methoxy-3-pyridinyl)carbamic acid is COc1ncc(I)cc1NC(=O)O.
What is the InChIKey of (5-iodo-2-methoxy-3-pyridinyl)carbamic acid?
The InChIKey is HUMWMNZOOFLSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2O3/c1-13-6-5(10-7(11)12)2-4(8)3-9-6/h2-3,10H,1H3,(H,11,12).
What are the key properties of (5-iodo-2-methoxy-3-pyridinyl)carbamic acid?
(5-iodo-2-methoxy-3-pyridinyl)carbamic acid has a molecular weight of 294.05 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-2-methoxy-3-pyridinyl)carbamic acid is sourced from PubChem (CID 118251524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).