5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid

C8H7F2IN2O2 — CID 130086964

IUPAC5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
SMILESNCc1c(I)cc(C(=O)O)nc1C(F)F
InChIInChI=1S/C8H7F2IN2O2/c9-7(10)6-3(2-12)4(11)1-5(13-6)8(14)15/h1,7H,2,12H2,(H,14,15)
InChIKeyXCRURSFSYOYUHC-UHFFFAOYSA-N
MW328.06 g/mol
LogP1.78
Rot. Bonds3

About 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid

5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid (PubChem CID 130086964) has the molecular formula C8H7F2IN2O2 and a molecular weight of 328.06 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
PubChem CID130086964
Molecular FormulaC8H7F2IN2O2
Molecular Weight328.06 g/mol
Exact Mass327.95
IUPAC Name5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
SMILESNCc1c(I)cc(C(=O)O)nc1C(F)F
InChIInChI=1S/C8H7F2IN2O2/c9-7(10)6-3(2-12)4(11)1-5(13-6)8(14)15/h1,7H,2,12H2,(H,14,15)
InChIKeyXCRURSFSYOYUHC-UHFFFAOYSA-N
XLogP1.78
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.06
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925
6-(difluoromethyl)-4,5-diiodopyridine-2-carbonyl chloride
CID 118815357
methyl 5-(bromomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 130087279
4-amino-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 118811846
2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid
CID 130073442
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 133084782
2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101376
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130073352
6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
CID 130087202
2-[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134673859
[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118814520
[6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol
CID 130105451

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid (CID 130086964) is 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid is NCc1c(I)cc(C(=O)O)nc1C(F)F.
What is the InChIKey of 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid?
The InChIKey is XCRURSFSYOYUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2IN2O2/c9-7(10)6-3(2-12)4(11)1-5(13-6)8(14)15/h1,7H,2,12H2,(H,14,15).
What are the key properties of 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid?
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid has a molecular weight of 328.06 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid is sourced from PubChem (CID 130086964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).