[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine

C7H6ClF2IN2 — CID 118814520

IUPAC[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
SMILESNCc1nc(C(F)F)c(Cl)cc1I
InChIInChI=1S/C7H6ClF2IN2/c8-3-1-4(11)5(2-12)13-6(3)7(9)10/h1,7H,2,12H2
InChIKeyFUYLQLIJIHBUDA-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.74
Rot. Bonds2

About [5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine

[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine (PubChem CID 118814520) has the molecular formula C7H6ClF2IN2 and a molecular weight of 318.49 g/mol. Its IUPAC name is [5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
PubChem CID118814520
Molecular FormulaC7H6ClF2IN2
Molecular Weight318.49 g/mol
Exact Mass317.92
IUPAC Name[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
SMILESNCc1nc(C(F)F)c(Cl)cc1I
InChIInChI=1S/C7H6ClF2IN2/c8-3-1-4(11)5(2-12)13-6(3)7(9)10/h1,7H,2,12H2
InChIKeyFUYLQLIJIHBUDA-UHFFFAOYSA-N
XLogP2.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.74
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

6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridin-3-ol
CID 118848322
[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820073
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
3-chloro-2-(difluoromethyl)-5-iodo-6-methylpyridine
CID 130073015
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130073352
ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134677140
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-sulfonamide
CID 130073589
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
CID 130073315
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118831357
methyl 2-[3-chloro-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134673837
5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130071572
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 130071737

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine (CID 118814520) is [5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine is NCc1nc(C(F)F)c(Cl)cc1I.
What is the InChIKey of [5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine?
The InChIKey is FUYLQLIJIHBUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2IN2/c8-3-1-4(11)5(2-12)13-6(3)7(9)10/h1,7H,2,12H2.
What are the key properties of [5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine?
[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine has a molecular weight of 318.49 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine is sourced from PubChem (CID 118814520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).