4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine

C7H6BrF2IN2 — CID 130105305

IUPAC4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine
SMILESNc1c(C(F)F)ncc(I)c1CBr
InChIInChI=1S/C7H6BrF2IN2/c8-1-3-4(11)2-13-6(5(3)12)7(9)10/h2,7H,1,12H2
InChIKeyFPYYAMBHOGNBKB-UHFFFAOYSA-N
MW362.94 g/mol
LogP3.10
Rot. Bonds2

About 4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine

4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine (PubChem CID 130105305) has the molecular formula C7H6BrF2IN2 and a molecular weight of 362.94 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine.

Molecular Properties

Compound Name4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine
PubChem CID130105305
Molecular FormulaC7H6BrF2IN2
Molecular Weight362.94 g/mol
Exact Mass361.87
IUPAC Name4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine
SMILESNc1c(C(F)F)ncc(I)c1CBr
InChIInChI=1S/C7H6BrF2IN2/c8-1-3-4(11)2-13-6(5(3)12)7(9)10/h2,7H,1,12H2
InChIKeyFPYYAMBHOGNBKB-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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106332
2-(difluoromethyl)-4-fluoro-5-iodopyridin-3-amine
CID 130103853
[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine
CID 118801498
4-(bromomethyl)-2-(difluoromethyl)-3-iodo-5-methylpyridine
CID 130086022
4-(bromomethyl)-6-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106337
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine
CID 130073145
2-[3-bromo-2-(difluoromethyl)-5-iodo-4-pyridinyl]acetic acid
CID 130068464
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
CID 130106839
5-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130110208
4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130087191
4-(bromomethyl)-2-(difluoromethyl)pyridin-3-amine
CID 130094718
3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine
CID 130098692

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine?
The IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine (CID 130105305) is 4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine.
What is the SMILES notation for 4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine?
The canonical SMILES for 4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine is Nc1c(C(F)F)ncc(I)c1CBr.
What is the InChIKey of 4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine?
The InChIKey is FPYYAMBHOGNBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2IN2/c8-1-3-4(11)2-13-6(5(3)12)7(9)10/h2,7H,1,12H2.
What are the key properties of 4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine?
4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-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 4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine is sourced from PubChem (CID 130105305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).