2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine

C13H12ClIN2 — CID 112655522

IUPAC2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine
SMILESNC(Cc1ccncc1Cl)c1cccc(I)c1
InChIInChI=1S/C13H12ClIN2/c14-12-8-17-5-4-9(12)7-13(16)10-2-1-3-11(15)6-10/h1-6,8,13H,7,16H2
InChIKeyGPIIUBCTIPAOHY-UHFFFAOYSA-N
MW358.61 g/mol
LogP3.58
Rot. Bonds3

About 2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine

2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine (PubChem CID 112655522) has the molecular formula C13H12ClIN2 and a molecular weight of 358.61 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine
PubChem CID112655522
Molecular FormulaC13H12ClIN2
Molecular Weight358.61 g/mol
Exact Mass357.97
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine
SMILESNC(Cc1ccncc1Cl)c1cccc(I)c1
InChIInChI=1S/C13H12ClIN2/c14-12-8-17-5-4-9(12)7-13(16)10-2-1-3-11(15)6-10/h1-6,8,13H,7,16H2
InChIKeyGPIIUBCTIPAOHY-UHFFFAOYSA-N
XLogP3.58
TPSA38.91 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 ≤ 53.58
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-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115984821
2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 112655443
2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 112655524
3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine
CID 104845244
2-(2,5-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 65321274
(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
CID 103693022
2-(2,3-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 21148415
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655446
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445
2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 112655458
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655450

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine (CID 112655522) is 2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine is NC(Cc1ccncc1Cl)c1cccc(I)c1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine?
The InChIKey is GPIIUBCTIPAOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2/c14-12-8-17-5-4-9(12)7-13(16)10-2-1-3-11(15)6-10/h1-6,8,13H,7,16H2.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine?
2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine has a molecular weight of 358.61 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine is sourced from PubChem (CID 112655522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).