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

C12H10FIN2 — CID 79769623

IUPAC4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline
SMILESFc1ccc(NCc2ccccn2)c(I)c1
InChIInChI=1S/C12H10FIN2/c13-9-4-5-12(11(14)7-9)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2
InChIKeyJYCSKUBCNQNNLM-UHFFFAOYSA-N
MW328.13 g/mol
LogP3.44
Rot. Bonds3

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

4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline (PubChem CID 79769623) has the molecular formula C12H10FIN2 and a molecular weight of 328.13 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline
PubChem CID79769623
Molecular FormulaC12H10FIN2
Molecular Weight328.13 g/mol
Exact Mass327.99
IUPAC Name4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline
SMILESFc1ccc(NCc2ccccn2)c(I)c1
InChIInChI=1S/C12H10FIN2/c13-9-4-5-12(11(14)7-9)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2
InChIKeyJYCSKUBCNQNNLM-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 53.44
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

4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 79759320
N-[(6-bromo-2-pyridinyl)methyl]-4-fluoro-2-iodoaniline
CID 112582493
5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 115749808
2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline
CID 43733694
N-[(2,6-difluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768652
N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769241
N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191145
4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline
CID 79769495
3,5-difluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 112675579
2,3-difluoro-4-(pyridin-2-ylmethylamino)benzenecarbothioamide
CID 107934445
2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60721568
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline (CID 79769623) is 4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline is Fc1ccc(NCc2ccccn2)c(I)c1.
What is the InChIKey of 4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is JYCSKUBCNQNNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FIN2/c13-9-4-5-12(11(14)7-9)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2.
What are the key properties of 4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline?
4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 328.13 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 79769623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).