5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine

C7H8F2IN3 — CID 130105277

IUPAC5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
SMILESNCc1c(I)ncc(N)c1C(F)F
InChIInChI=1S/C7H8F2IN3/c8-6(9)5-3(1-11)7(10)13-2-4(5)12/h2,6H,1,11-12H2
InChIKeyCCZYRLKYYBZELL-UHFFFAOYSA-N
MW299.06 g/mol
LogP1.66
Rot. Bonds2

About 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine

5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine (PubChem CID 130105277) has the molecular formula C7H8F2IN3 and a molecular weight of 299.06 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
PubChem CID130105277
Molecular FormulaC7H8F2IN3
Molecular Weight299.06 g/mol
Exact Mass298.97
IUPAC Name5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
SMILESNCc1c(I)ncc(N)c1C(F)F
InChIInChI=1S/C7H8F2IN3/c8-6(9)5-3(1-11)7(10)13-2-4(5)12/h2,6H,1,11-12H2
InChIKeyCCZYRLKYYBZELL-UHFFFAOYSA-N
XLogP1.66
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.06
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-5,6-diiodopyridin-3-amine
CID 130100391
[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]methanamine
CID 130085961
5-(aminomethyl)-4-(difluoromethyl)-6-fluoropyridin-3-amine
CID 130104000
[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine
CID 130100567
2-[5-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 133101298
5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130103400
[5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine
CID 118817949
2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684591
ethyl 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100682
[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine
CID 130085536
5-amino-4-(difluoromethyl)-2-iodopyridine-3-sulfonamide
CID 130105762
5-(difluoromethyl)-6-fluoro-4-iodopyridin-3-amine
CID 130103870

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine?
The IUPAC name of 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine (CID 130105277) is 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine.
What is the SMILES notation for 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine?
The canonical SMILES for 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine is NCc1c(I)ncc(N)c1C(F)F.
What is the InChIKey of 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine?
The InChIKey is CCZYRLKYYBZELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2IN3/c8-6(9)5-3(1-11)7(10)13-2-4(5)12/h2,6H,1,11-12H2.
What are the key properties of 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine?
5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine has a molecular weight of 299.06 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine is sourced from PubChem (CID 130105277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).