(3-chloro-4-iodo-2-pyridinyl) carbamate

C6H4ClIN2O2 — CID 175563884

IUPAC(3-chloro-4-iodo-2-pyridinyl) carbamate
SMILESNC(=O)Oc1nccc(I)c1Cl
InChIInChI=1S/C6H4ClIN2O2/c7-4-3(8)1-2-10-5(4)12-6(9)11/h1-2H,(H2,9,11)
InChIKeyKEARWLISYJOYPP-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.80
Rot. Bonds1

About (3-chloro-4-iodo-2-pyridinyl) carbamate

(3-chloro-4-iodo-2-pyridinyl) carbamate (PubChem CID 175563884) has the molecular formula C6H4ClIN2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (3-chloro-4-iodo-2-pyridinyl) carbamate.

Molecular Properties

Compound Name(3-chloro-4-iodo-2-pyridinyl) carbamate
PubChem CID175563884
Molecular FormulaC6H4ClIN2O2
Molecular Weight298.47 g/mol
Exact Mass297.90
IUPAC Name(3-chloro-4-iodo-2-pyridinyl) carbamate
SMILESNC(=O)Oc1nccc(I)c1Cl
InChIInChI=1S/C6H4ClIN2O2/c7-4-3(8)1-2-10-5(4)12-6(9)11/h1-2H,(H2,9,11)
InChIKeyKEARWLISYJOYPP-UHFFFAOYSA-N
XLogP1.80
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.80
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

(2-chloro-4-methyl-3-pyridinyl) carbamate
CID 89310539
(3-chloro-4-iodo-2-pyridinyl)-methylidyneazanium
CID 163542048
[4-(4-chloro-2-pyridinyl)phenyl] carbamate
CID 175565637
(3-chloro-4-ethyl-2-pyridinyl) acetate
CID 66916950
(3-phenyl-2-pyridinyl) carbamate
CID 155234314
(3-fluoro-4-iodo-2-pyridinyl)methyl carbamate
CID 175430042
1-(2-chloro-4-iodo-3-pyridinyl)-2-hydroxyethanone
CID 58317723
9H-pyrido[3,4-b]indol-1-yl carbamate
CID 91488177
(2-methylpyrimidin-4-yl) carbamate
CID 119083967
2-(4-iodo-2-methoxy-3-pyridinyl)acetic acid
CID 166790016
bis(3-chloro-2-pyridinyl) propanedioate
CID 69083398
tert-butyl 2-amino-4-iodopyridine-3-carboxylate
CID 154073429

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodo-2-pyridinyl) carbamate?
The IUPAC name of (3-chloro-4-iodo-2-pyridinyl) carbamate (CID 175563884) is (3-chloro-4-iodo-2-pyridinyl) carbamate.
What is the SMILES notation for (3-chloro-4-iodo-2-pyridinyl) carbamate?
The canonical SMILES for (3-chloro-4-iodo-2-pyridinyl) carbamate is NC(=O)Oc1nccc(I)c1Cl.
What is the InChIKey of (3-chloro-4-iodo-2-pyridinyl) carbamate?
The InChIKey is KEARWLISYJOYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClIN2O2/c7-4-3(8)1-2-10-5(4)12-6(9)11/h1-2H,(H2,9,11).
What are the key properties of (3-chloro-4-iodo-2-pyridinyl) carbamate?
(3-chloro-4-iodo-2-pyridinyl) carbamate has a molecular weight of 298.47 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodo-2-pyridinyl) carbamate is sourced from PubChem (CID 175563884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).