6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine

C7H6ClF2IN2 — CID 130105343

IUPAC6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine
SMILESNc1cc(C(F)F)c(I)c(CCl)n1
InChIInChI=1S/C7H6ClF2IN2/c8-2-4-6(11)3(7(9)10)1-5(12)13-4/h1,7H,2H2,(H2,12,13)
InChIKeyCIESIDNJOONHKY-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.94
Rot. Bonds2

About 6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine

6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine (PubChem CID 130105343) has the molecular formula C7H6ClF2IN2 and a molecular weight of 318.49 g/mol. Its IUPAC name is 6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine
PubChem CID130105343
Molecular FormulaC7H6ClF2IN2
Molecular Weight318.49 g/mol
Exact Mass317.92
IUPAC Name6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine
SMILESNc1cc(C(F)F)c(I)c(CCl)n1
InChIInChI=1S/C7H6ClF2IN2/c8-2-4-6(11)3(7(9)10)1-5(12)13-4/h1,7H,2H2,(H2,12,13)
InChIKeyCIESIDNJOONHKY-UHFFFAOYSA-N
XLogP2.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 130104065
6-(aminomethyl)-4-(difluoromethyl)pyridine-2,5-diamine
CID 118836943
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridin-2-amine
CID 119019561
6-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101938
6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine
CID 130080047
2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 118855239
4-chloro-2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine
CID 130073192
6-amino-4-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol
CID 130104825
[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130086878
6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine
CID 130106324
2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine
CID 118837290
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine?
The IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine (CID 130105343) is 6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine?
The canonical SMILES for 6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine is Nc1cc(C(F)F)c(I)c(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine?
The InChIKey is CIESIDNJOONHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2IN2/c8-2-4-6(11)3(7(9)10)1-5(12)13-4/h1,7H,2H2,(H2,12,13).
What are the key properties of 6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine?
6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine has a molecular weight of 318.49 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine is sourced from PubChem (CID 130105343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).