3-(6-iodosyl-3-pyridinyl)-4-methylaniline

C12H11IN2O — CID 143943029

IUPAC3-(6-iodosyl-3-pyridinyl)-4-methylaniline
SMILESCc1ccc(N)cc1-c1ccc(I=O)nc1
InChIInChI=1S/C12H11IN2O/c1-8-2-4-10(14)6-11(8)9-3-5-12(13-16)15-7-9/h2-7H,14H2,1H3
InChIKeyPGIAZRIAIQIAPI-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.13
Rot. Bonds2

About 3-(6-iodosyl-3-pyridinyl)-4-methylaniline

3-(6-iodosyl-3-pyridinyl)-4-methylaniline (PubChem CID 143943029) has the molecular formula C12H11IN2O and a molecular weight of 326.14 g/mol. Its IUPAC name is 3-(6-iodosyl-3-pyridinyl)-4-methylaniline.

Molecular Properties

Compound Name3-(6-iodosyl-3-pyridinyl)-4-methylaniline
PubChem CID143943029
Molecular FormulaC12H11IN2O
Molecular Weight326.14 g/mol
Exact Mass325.99
IUPAC Name3-(6-iodosyl-3-pyridinyl)-4-methylaniline
SMILESCc1ccc(N)cc1-c1ccc(I=O)nc1
InChIInChI=1S/C12H11IN2O/c1-8-2-4-10(14)6-11(8)9-3-5-12(13-16)15-7-9/h2-7H,14H2,1H3
InChIKeyPGIAZRIAIQIAPI-UHFFFAOYSA-N
XLogP3.13
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-(2-methylpyrimidin-5-yl)aniline
CID 170431309
4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline
CID 68548753
2-[4-(5-amino-2-methylphenyl)phenoxy]acetic acid
CID 82039012
4-methyl-3-pyrido[2,3-d]pyrimidin-6-ylaniline
CID 155718233
ethane;methyl 4-(5-amino-2-methylphenyl)benzoate
CID 142234774
4-methyl-3-quinolin-6-ylaniline
CID 81224667
3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline
CID 169024574
3-(5-amino-2-methylphenyl)-N,N-dimethylbenzamide
CID 146207479
3-(3,4-dimethoxyphenyl)-4-methylaniline
CID 39232128
3-(4-methoxy-3-methylphenyl)-4-methylaniline
CID 55202323
5-(5-amino-2-methylphenyl)-1H-pyrazin-2-one
CID 165444919
6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde
CID 165490029

Frequently Asked Questions

What is the IUPAC name of 3-(6-iodosyl-3-pyridinyl)-4-methylaniline?
The IUPAC name of 3-(6-iodosyl-3-pyridinyl)-4-methylaniline (CID 143943029) is 3-(6-iodosyl-3-pyridinyl)-4-methylaniline.
What is the SMILES notation for 3-(6-iodosyl-3-pyridinyl)-4-methylaniline?
The canonical SMILES for 3-(6-iodosyl-3-pyridinyl)-4-methylaniline is Cc1ccc(N)cc1-c1ccc(I=O)nc1.
What is the InChIKey of 3-(6-iodosyl-3-pyridinyl)-4-methylaniline?
The InChIKey is PGIAZRIAIQIAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O/c1-8-2-4-10(14)6-11(8)9-3-5-12(13-16)15-7-9/h2-7H,14H2,1H3.
What are the key properties of 3-(6-iodosyl-3-pyridinyl)-4-methylaniline?
3-(6-iodosyl-3-pyridinyl)-4-methylaniline has a molecular weight of 326.14 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-iodosyl-3-pyridinyl)-4-methylaniline is sourced from PubChem (CID 143943029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).