2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline

C12H10ClIN2 — CID 43733694

IUPAC2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline
SMILESClc1cc(I)ccc1NCc1ccccn1
InChIInChI=1S/C12H10ClIN2/c13-11-7-9(14)4-5-12(11)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2
InChIKeyGCJPTEHVOQXOGS-UHFFFAOYSA-N
MW344.58 g/mol
LogP3.95
Rot. Bonds3

About 2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline

2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline (PubChem CID 43733694) has the molecular formula C12H10ClIN2 and a molecular weight of 344.58 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline
PubChem CID43733694
Molecular FormulaC12H10ClIN2
Molecular Weight344.58 g/mol
Exact Mass343.96
IUPAC Name2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline
SMILESClc1cc(I)ccc1NCc1ccccn1
InChIInChI=1S/C12H10ClIN2/c13-11-7-9(14)4-5-12(11)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2
InChIKeyGCJPTEHVOQXOGS-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 53.95
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-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 43714578
2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312999
2-chloro-4-iodo-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169264
5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
CID 62913558
4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline
CID 79769623
2-chloro-4-iodo-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 43733797
2-(2,4-dichloroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999324
6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104599914
2-[(2-chloroanilino)methyl]pyridin-4-amine
CID 105493854
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-iodoaniline
CID 55064679
2-chloro-5-nitro-N-(pyridin-2-ylmethyl)aniline
CID 43718883
2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile
CID 17393162

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline (CID 43733694) is 2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline is Clc1cc(I)ccc1NCc1ccccn1.
What is the InChIKey of 2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is GCJPTEHVOQXOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2/c13-11-7-9(14)4-5-12(11)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2.
What are the key properties of 2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline?
2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 344.58 g/mol, XLogP of 3.95, 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-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 43733694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).