4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline

C13H13IN2 — CID 166703299

IUPAC4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline
SMILESCNc1ccc(Cc2ccc(I)cn2)cc1
InChIInChI=1S/C13H13IN2/c1-15-12-5-2-10(3-6-12)8-13-7-4-11(14)9-16-13/h2-7,9,15H,8H2,1H3
InChIKeyFWVDZVZCZJPSAL-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.32
Rot. Bonds3

About 4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline

4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline (PubChem CID 166703299) has the molecular formula C13H13IN2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline
PubChem CID166703299
Molecular FormulaC13H13IN2
Molecular Weight324.17 g/mol
Exact Mass324.01
IUPAC Name4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline
SMILESCNc1ccc(Cc2ccc(I)cn2)cc1
InChIInChI=1S/C13H13IN2/c1-15-12-5-2-10(3-6-12)8-13-7-4-11(14)9-16-13/h2-7,9,15H,8H2,1H3
InChIKeyFWVDZVZCZJPSAL-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.32
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

N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
ethane;6-ethyl-N-methylpyridin-3-amine
CID 142596426
5-iodo-2-(methylsulfonylmethyl)pyridine
CID 154468354
2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine
CID 59265435
(6-benzyl-3-pyridinyl)methanamine;ethane
CID 54242306
4-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-N-methylaniline
CID 174101748
N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083
5-ethenyl-2-[(4-ethylphenyl)methyl]pyridine
CID 59499015
ethane;[4-(methylamino)phenyl]methanethiol
CID 143570077
ethane;4-ethyl-N-methylaniline;methane
CID 142034195
1-[4-(methylamino)phenyl]propan-2-ol
CID 142796723
4-[(5-methyl-2-pyridinyl)methyl]benzonitrile
CID 166687753

Frequently Asked Questions

What is the IUPAC name of 4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline?
The IUPAC name of 4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline (CID 166703299) is 4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline?
The canonical SMILES for 4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline is CNc1ccc(Cc2ccc(I)cn2)cc1.
What is the InChIKey of 4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline?
The InChIKey is FWVDZVZCZJPSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2/c1-15-12-5-2-10(3-6-12)8-13-7-4-11(14)9-16-13/h2-7,9,15H,8H2,1H3.
What are the key properties of 4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline?
4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline has a molecular weight of 324.17 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-iodo-2-pyridinyl)methyl]-N-methylaniline is sourced from PubChem (CID 166703299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).