1-iodocarbazol-9-amine

C12H9IN2 — CID 134389123

IUPAC1-iodocarbazol-9-amine
SMILESNn1c2ccccc2c2cccc(I)c21
InChIInChI=1S/C12H9IN2/c13-10-6-3-5-9-8-4-1-2-7-11(8)15(14)12(9)10/h1-7H,14H2
InChIKeyWQCROLUUFIDKOQ-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.11
Rot. Bonds

About 1-iodocarbazol-9-amine

1-iodocarbazol-9-amine (PubChem CID 134389123) has the molecular formula C12H9IN2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 1-iodocarbazol-9-amine.

Molecular Properties

Compound Name1-iodocarbazol-9-amine
PubChem CID134389123
Molecular FormulaC12H9IN2
Molecular Weight308.12 g/mol
Exact Mass307.98
IUPAC Name1-iodocarbazol-9-amine
SMILESNn1c2ccccc2c2cccc(I)c21
InChIInChI=1S/C12H9IN2/c13-10-6-3-5-9-8-4-1-2-7-11(8)15(14)12(9)10/h1-7H,14H2
InChIKeyWQCROLUUFIDKOQ-UHFFFAOYSA-N
XLogP3.11
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
9-iodo-1-methylcarbazole
CID 134316149
CID 148804353
CID 148804353
2,3-dibromoindol-1-amine
CID 141135637
ethane;9-methylcarbazol-1-amine
CID 142426342
5-trimethylsilyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-26-amine
CID 174083627
4-phenylcarbazol-9-amine
CID 146177430
4-iodo-9-phenylcarbazole
CID 126592391
CID 176917271
CID 176917271
5,12-diaminoquinolino[2,3-b]acridine-7,14-dione
CID 20821728
9-bromocarbazol-1-ol
CID 118380474
7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene
CID 138506886

Frequently Asked Questions

What is the IUPAC name of 1-iodocarbazol-9-amine?
The IUPAC name of 1-iodocarbazol-9-amine (CID 134389123) is 1-iodocarbazol-9-amine.
What is the SMILES notation for 1-iodocarbazol-9-amine?
The canonical SMILES for 1-iodocarbazol-9-amine is Nn1c2ccccc2c2cccc(I)c21.
What is the InChIKey of 1-iodocarbazol-9-amine?
The InChIKey is WQCROLUUFIDKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN2/c13-10-6-3-5-9-8-4-1-2-7-11(8)15(14)12(9)10/h1-7H,14H2.
What are the key properties of 1-iodocarbazol-9-amine?
1-iodocarbazol-9-amine has a molecular weight of 308.12 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodocarbazol-9-amine is sourced from PubChem (CID 134389123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).