3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine

C7H6BrF2IN2 — CID 130105324

IUPAC3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine
SMILESNc1cc(I)nc(C(F)F)c1CBr
InChIInChI=1S/C7H6BrF2IN2/c8-2-3-4(12)1-5(11)13-6(3)7(9)10/h1,7H,2H2,(H2,12,13)
InChIKeyHVBYLXSFYCUOQH-UHFFFAOYSA-N
MW362.94 g/mol
LogP3.10
Rot. Bonds2

About 3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine

3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine (PubChem CID 130105324) has the molecular formula C7H6BrF2IN2 and a molecular weight of 362.94 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine
PubChem CID130105324
Molecular FormulaC7H6BrF2IN2
Molecular Weight362.94 g/mol
Exact Mass361.87
IUPAC Name3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine
SMILESNc1cc(I)nc(C(F)F)c1CBr
InChIInChI=1S/C7H6BrF2IN2/c8-2-3-4(12)1-5(11)13-6(3)7(9)10/h1,7H,2H2,(H2,12,13)
InChIKeyHVBYLXSFYCUOQH-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.94
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
CID 118850928
3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
CID 130087013
methyl 2-[3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 133100621
4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
CID 130086025
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 130107066
3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine
CID 130080016
4-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 130087240
3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine
CID 130099754
4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine
CID 130105305
5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130078886
[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol
CID 130107153

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine?
The IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine (CID 130105324) is 3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine.
What is the SMILES notation for 3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine?
The canonical SMILES for 3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine is Nc1cc(I)nc(C(F)F)c1CBr.
What is the InChIKey of 3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine?
The InChIKey is HVBYLXSFYCUOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2IN2/c8-2-3-4(12)1-5(11)13-6(3)7(9)10/h1,7H,2H2,(H2,12,13).
What are the key properties of 3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine?
3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine has a molecular weight of 362.94 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine is sourced from PubChem (CID 130105324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).