(6-chloro-3-iodo-1H-indol-4-yl)carbamic acid

C9H6ClIN2O2 — CID 170428096

IUPAC(6-chloro-3-iodo-1H-indol-4-yl)carbamic acid
SMILESO=C(O)Nc1cc(Cl)cc2[nH]cc(I)c12
InChIInChI=1S/C9H6ClIN2O2/c10-4-1-6-8(5(11)3-12-6)7(2-4)13-9(14)15/h1-3,12-13H,(H,14,15)
InChIKeyKTZYDCVOFVPZMC-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.52
Rot. Bonds1

About (6-chloro-3-iodo-1H-indol-4-yl)carbamic acid

(6-chloro-3-iodo-1H-indol-4-yl)carbamic acid (PubChem CID 170428096) has the molecular formula C9H6ClIN2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is (6-chloro-3-iodo-1H-indol-4-yl)carbamic acid.

Molecular Properties

Compound Name(6-chloro-3-iodo-1H-indol-4-yl)carbamic acid
PubChem CID170428096
Molecular FormulaC9H6ClIN2O2
Molecular Weight336.52 g/mol
Exact Mass335.92
IUPAC Name(6-chloro-3-iodo-1H-indol-4-yl)carbamic acid
SMILESO=C(O)Nc1cc(Cl)cc2[nH]cc(I)c12
InChIInChI=1S/C9H6ClIN2O2/c10-4-1-6-8(5(11)3-12-6)7(2-4)13-9(14)15/h1-3,12-13H,(H,14,15)
InChIKeyKTZYDCVOFVPZMC-UHFFFAOYSA-N
XLogP3.52
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4,6-dichloro-1H-indol-3-yl)-(4-iodophenyl)methanone
CID 103427836
4-bromo-6-chloro-1H-indole-3-carboxylic acid
CID 118644730
1-(4,6-dichloro-1H-indol-3-yl)-3,3-dimethylbutan-1-one
CID 103427821
(2S)-2-amino-3-(6-chloro-4-hydroxy-1H-indol-3-yl)propanoic acid
CID 162744818
1H-indol-3-ylcarbamic acid
CID 66672709
3,6-dichloro-4-methyl-1H-indole
CID 151460681
N-(6-chloro-1H-indol-4-yl)acetamide
CID 122534007
(3-chloro-2-iodophenyl)carbamic acid
CID 122610663
(4-bromophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427878
(4-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428591
4-[(3,5-dichlorophenyl)carbamoylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 107653108
5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one
CID 107370154

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-iodo-1H-indol-4-yl)carbamic acid?
The IUPAC name of (6-chloro-3-iodo-1H-indol-4-yl)carbamic acid (CID 170428096) is (6-chloro-3-iodo-1H-indol-4-yl)carbamic acid.
What is the SMILES notation for (6-chloro-3-iodo-1H-indol-4-yl)carbamic acid?
The canonical SMILES for (6-chloro-3-iodo-1H-indol-4-yl)carbamic acid is O=C(O)Nc1cc(Cl)cc2[nH]cc(I)c12.
What is the InChIKey of (6-chloro-3-iodo-1H-indol-4-yl)carbamic acid?
The InChIKey is KTZYDCVOFVPZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2O2/c10-4-1-6-8(5(11)3-12-6)7(2-4)13-9(14)15/h1-3,12-13H,(H,14,15).
What are the key properties of (6-chloro-3-iodo-1H-indol-4-yl)carbamic acid?
(6-chloro-3-iodo-1H-indol-4-yl)carbamic acid has a molecular weight of 336.52 g/mol, XLogP of 3.52, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-iodo-1H-indol-4-yl)carbamic acid is sourced from PubChem (CID 170428096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).