[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine

C7H6BrF2IN2 — CID 118836836

IUPAC[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
SMILESNCc1ncc(Br)c(C(F)F)c1I
InChIInChI=1S/C7H6BrF2IN2/c8-3-2-13-4(1-12)6(11)5(3)7(9)10/h2,7H,1,12H2
InChIKeyUSZQXJLEUCJWOS-UHFFFAOYSA-N
MW362.94 g/mol
LogP2.85
Rot. Bonds2

About [5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine

[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine (PubChem CID 118836836) has the molecular formula C7H6BrF2IN2 and a molecular weight of 362.94 g/mol. Its IUPAC name is [5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
PubChem CID118836836
Molecular FormulaC7H6BrF2IN2
Molecular Weight362.94 g/mol
Exact Mass361.87
IUPAC Name[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
SMILESNCc1ncc(Br)c(C(F)F)c1I
InChIInChI=1S/C7H6BrF2IN2/c8-3-2-13-4(1-12)6(11)5(3)7(9)10/h2,7H,1,12H2
InChIKeyUSZQXJLEUCJWOS-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

[5-bromo-4-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118831229
2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid
CID 130068471
[5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine
CID 118817949
[5-(difluoromethyl)-3,4-diiodo-2-pyridinyl]methanamine
CID 118848069
methyl 2-(aminomethyl)-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134675412
5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
CID 130068606
[3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine
CID 118808483
[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118803013
[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820101
6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridin-2-amine
CID 130101856
6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 118847980
6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118831148

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine?
The IUPAC name of [5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine (CID 118836836) is [5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine is NCc1ncc(Br)c(C(F)F)c1I.
What is the InChIKey of [5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine?
The InChIKey is USZQXJLEUCJWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2IN2/c8-3-2-13-4(1-12)6(11)5(3)7(9)10/h2,7H,1,12H2.
What are the key properties of [5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine?
[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine has a molecular weight of 362.94 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine is sourced from PubChem (CID 118836836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).