(6-ethyl-5-iodo-2-pyridinyl)carbamic acid

C8H9IN2O2 — CID 150133379

IUPAC(6-ethyl-5-iodo-2-pyridinyl)carbamic acid
SMILESCCc1nc(NC(=O)O)ccc1I
InChIInChI=1S/C8H9IN2O2/c1-2-6-5(9)3-4-7(10-6)11-8(12)13/h3-4H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeyFBSKMVDHEGTLKC-UHFFFAOYSA-N
MW292.08 g/mol
LogP2.34
Rot. Bonds2

About (6-ethyl-5-iodo-2-pyridinyl)carbamic acid

(6-ethyl-5-iodo-2-pyridinyl)carbamic acid (PubChem CID 150133379) has the molecular formula C8H9IN2O2 and a molecular weight of 292.08 g/mol. Its IUPAC name is (6-ethyl-5-iodo-2-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(6-ethyl-5-iodo-2-pyridinyl)carbamic acid
PubChem CID150133379
Molecular FormulaC8H9IN2O2
Molecular Weight292.08 g/mol
Exact Mass291.97
IUPAC Name(6-ethyl-5-iodo-2-pyridinyl)carbamic acid
SMILESCCc1nc(NC(=O)O)ccc1I
InChIInChI=1S/C8H9IN2O2/c1-2-6-5(9)3-4-7(10-6)11-8(12)13/h3-4H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeyFBSKMVDHEGTLKC-UHFFFAOYSA-N
XLogP2.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-5-iodo-2-pyridinyl)carbamic acid?
The IUPAC name of (6-ethyl-5-iodo-2-pyridinyl)carbamic acid (CID 150133379) is (6-ethyl-5-iodo-2-pyridinyl)carbamic acid.
What is the SMILES notation for (6-ethyl-5-iodo-2-pyridinyl)carbamic acid?
The canonical SMILES for (6-ethyl-5-iodo-2-pyridinyl)carbamic acid is CCc1nc(NC(=O)O)ccc1I.
What is the InChIKey of (6-ethyl-5-iodo-2-pyridinyl)carbamic acid?
The InChIKey is FBSKMVDHEGTLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O2/c1-2-6-5(9)3-4-7(10-6)11-8(12)13/h3-4H,2H2,1H3,(H,10,11)(H,12,13).
What are the key properties of (6-ethyl-5-iodo-2-pyridinyl)carbamic acid?
(6-ethyl-5-iodo-2-pyridinyl)carbamic acid has a molecular weight of 292.08 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-5-iodo-2-pyridinyl)carbamic acid is sourced from PubChem (CID 150133379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).