7-chloro-3-iodo-2-methyl-1H-indole

C9H7ClIN — CID 130049382

IUPAC7-chloro-3-iodo-2-methyl-1H-indole
SMILESCc1[nH]c2c(Cl)cccc2c1I
InChIInChI=1S/C9H7ClIN/c1-5-8(11)6-3-2-4-7(10)9(6)12-5/h2-4,12H,1H3
InChIKeyFTNUGFJVQBETRB-UHFFFAOYSA-N
MW291.52 g/mol
LogP3.73
Rot. Bonds

About 7-chloro-3-iodo-2-methyl-1H-indole

7-chloro-3-iodo-2-methyl-1H-indole (PubChem CID 130049382) has the molecular formula C9H7ClIN and a molecular weight of 291.52 g/mol. Its IUPAC name is 7-chloro-3-iodo-2-methyl-1H-indole.

Molecular Properties

Compound Name7-chloro-3-iodo-2-methyl-1H-indole
PubChem CID130049382
Molecular FormulaC9H7ClIN
Molecular Weight291.52 g/mol
Exact Mass290.93
IUPAC Name7-chloro-3-iodo-2-methyl-1H-indole
SMILESCc1[nH]c2c(Cl)cccc2c1I
InChIInChI=1S/C9H7ClIN/c1-5-8(11)6-3-2-4-7(10)9(6)12-5/h2-4,12H,1H3
InChIKeyFTNUGFJVQBETRB-UHFFFAOYSA-N
XLogP3.73
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 159379204
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CID 82279937
7-chloro-3-methylsulfanyl-1H-indol-2-ol
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8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one
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7-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 83678254
(7-chloro-3-ethyl-1H-indol-2-yl)methanamine
CID 84621210
2,3-dibromo-7-chloro-1H-indole
CID 12706664
7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide
CID 65335287
1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 110850320
1-(2,7-dichloro-1H-indol-3-yl)ethanone
CID 82269325
3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine
CID 83868277
7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84633339

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-iodo-2-methyl-1H-indole?
The IUPAC name of 7-chloro-3-iodo-2-methyl-1H-indole (CID 130049382) is 7-chloro-3-iodo-2-methyl-1H-indole.
What is the SMILES notation for 7-chloro-3-iodo-2-methyl-1H-indole?
The canonical SMILES for 7-chloro-3-iodo-2-methyl-1H-indole is Cc1[nH]c2c(Cl)cccc2c1I.
What is the InChIKey of 7-chloro-3-iodo-2-methyl-1H-indole?
The InChIKey is FTNUGFJVQBETRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClIN/c1-5-8(11)6-3-2-4-7(10)9(6)12-5/h2-4,12H,1H3.
What are the key properties of 7-chloro-3-iodo-2-methyl-1H-indole?
7-chloro-3-iodo-2-methyl-1H-indole has a molecular weight of 291.52 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-iodo-2-methyl-1H-indole is sourced from PubChem (CID 130049382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).