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

C13H12ClIN2 — CID 81312999

IUPAC2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(I)cc2Cl)nc1
InChIInChI=1S/C13H12ClIN2/c1-9-2-4-11(16-7-9)8-17-13-5-3-10(15)6-12(13)14/h2-7,17H,8H2,1H3
InChIKeyPGYUNFXLZJOSPJ-UHFFFAOYSA-N
MW358.61 g/mol
LogP4.26
Rot. Bonds3

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

2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline (PubChem CID 81312999) has the molecular formula C13H12ClIN2 and a molecular weight of 358.61 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline
PubChem CID81312999
Molecular FormulaC13H12ClIN2
Molecular Weight358.61 g/mol
Exact Mass357.97
IUPAC Name2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(I)cc2Cl)nc1
InChIInChI=1S/C13H12ClIN2/c1-9-2-4-11(16-7-9)8-17-13-5-3-10(15)6-12(13)14/h2-7,17H,8H2,1H3
InChIKeyPGYUNFXLZJOSPJ-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 54.26
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

2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline
CID 43733694
2-chloro-4-iodo-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169264
2-chloro-3-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 113344595
2-[(2-chloro-4-iodoanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 166207111
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 81311269
2-chloro-4-iodo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 107606547
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-iodoaniline
CID 43788803
4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 81311267
N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline
CID 113344581
4-[(2-chloro-4-iodoanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 116686313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline (CID 81312999) is 2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline is Cc1ccc(CNc2ccc(I)cc2Cl)nc1.
What is the InChIKey of 2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is PGYUNFXLZJOSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2/c1-9-2-4-11(16-7-9)8-17-13-5-3-10(15)6-12(13)14/h2-7,17H,8H2,1H3.
What are the key properties of 2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline?
2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 358.61 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 81312999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).