4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine

C13H13FIN3O — CID 66100905

IUPAC4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
SMILESCOc1cc(CNc2cc(F)c(I)cc2N)ccn1
InChIInChI=1S/C13H13FIN3O/c1-19-13-4-8(2-3-17-13)7-18-12-5-9(14)10(15)6-11(12)16/h2-6,18H,7,16H2,1H3
InChIKeyGCQDVFBZZKMPOC-UHFFFAOYSA-N
MW373.17 g/mol
LogP3.03
Rot. Bonds4

About 4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine

4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine (PubChem CID 66100905) has the molecular formula C13H13FIN3O and a molecular weight of 373.17 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
PubChem CID66100905
Molecular FormulaC13H13FIN3O
Molecular Weight373.17 g/mol
Exact Mass373.01
IUPAC Name4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
SMILESCOc1cc(CNc2cc(F)c(I)cc2N)ccn1
InChIInChI=1S/C13H13FIN3O/c1-19-13-4-8(2-3-17-13)7-18-12-5-9(14)10(15)6-11(12)16/h2-6,18H,7,16H2,1H3
InChIKeyGCQDVFBZZKMPOC-UHFFFAOYSA-N
XLogP3.03
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 66099500
3,4-difluoro-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 62991499
4-bromo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 65342517
2-N-[(3,4-difluorophenyl)methyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66102255
4-fluoro-5-iodo-2-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66100710
2-fluoro-4-[(2-methoxy-4-pyridinyl)methylamino]benzenecarbothioamide
CID 115368302
2-amino-3-fluoro-6-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 83207084
5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
CID 66343046
3,5-difluoro-4-[(2-methoxy-4-pyridinyl)methylamino]benzenecarbothioamide
CID 81286754
2-N-[(3-bromophenyl)methyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101460
4-fluoro-5-iodo-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66101267
5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide
CID 62990349

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine (CID 66100905) is 4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine is COc1cc(CNc2cc(F)c(I)cc2N)ccn1.
What is the InChIKey of 4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine?
The InChIKey is GCQDVFBZZKMPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FIN3O/c1-19-13-4-8(2-3-17-13)7-18-12-5-9(14)10(15)6-11(12)16/h2-6,18H,7,16H2,1H3.
What are the key properties of 4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine has a molecular weight of 373.17 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 66100905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).