2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline

C14H14ClIN2O — CID 107606547

IUPAC2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2ccc(I)cc2Cl)c1
InChIInChI=1S/C14H14ClIN2O/c1-9-5-12(19-2)7-11(18-9)8-17-14-4-3-10(16)6-13(14)15/h3-7,17H,8H2,1-2H3
InChIKeyOFVZZDRSHZNDBQ-UHFFFAOYSA-N
MW388.64 g/mol
LogP4.27
Rot. Bonds4

About 2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline

2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 107606547) has the molecular formula C14H14ClIN2O and a molecular weight of 388.64 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
PubChem CID107606547
Molecular FormulaC14H14ClIN2O
Molecular Weight388.64 g/mol
Exact Mass387.98
IUPAC Name2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2ccc(I)cc2Cl)c1
InChIInChI=1S/C14H14ClIN2O/c1-9-5-12(19-2)7-11(18-9)8-17-14-4-3-10(16)6-13(14)15/h3-7,17H,8H2,1-2H3
InChIKeyOFVZZDRSHZNDBQ-UHFFFAOYSA-N
XLogP4.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5-trichloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893270
3-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 82893507
2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82887682
2,5-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-methylaniline
CID 103585743
2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82893200
2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892845
2-(1-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82895611
2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312999
2-(methoxymethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892911
2-chloro-4,6-difluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 83081751
3-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]benzonitrile
CID 82893305
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (CID 107606547) is 2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is COc1cc(C)nc(CNc2ccc(I)cc2Cl)c1.
What is the InChIKey of 2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is OFVZZDRSHZNDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O/c1-9-5-12(19-2)7-11(18-9)8-17-14-4-3-10(16)6-13(14)15/h3-7,17H,8H2,1-2H3.
What are the key properties of 2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 388.64 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 107606547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).