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

C7H6ClF2IN2 — CID 118808483

IUPAC[3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine
SMILESNCc1ncc(I)c(C(F)F)c1Cl
InChIInChI=1S/C7H6ClF2IN2/c8-6-4(1-12)13-2-3(11)5(6)7(9)10/h2,7H,1,12H2
InChIKeyRSUQNNUBZGNNIQ-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.74
Rot. Bonds2

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

[3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine (PubChem CID 118808483) has the molecular formula C7H6ClF2IN2 and a molecular weight of 318.49 g/mol. Its IUPAC name is [3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine
PubChem CID118808483
Molecular FormulaC7H6ClF2IN2
Molecular Weight318.49 g/mol
Exact Mass317.92
IUPAC Name[3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine
SMILESNCc1ncc(I)c(C(F)F)c1Cl
InChIInChI=1S/C7H6ClF2IN2/c8-6-4(1-12)13-2-3(11)5(6)7(9)10/h2,7H,1,12H2
InChIKeyRSUQNNUBZGNNIQ-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)-5-chloro-4-(difluoromethyl)pyridin-3-ol
CID 118825681
[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820101
[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 118824248
3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130086932
2-(aminomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118850860
[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118836836
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825547
[5-(difluoromethyl)-3,4-diiodo-2-pyridinyl]methanamine
CID 118848069
2-(chloromethyl)-4-(difluoromethyl)-5-iodo-3-(trifluoromethyl)pyridine
CID 118804340
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-5-iodopyridine
CID 119014483
3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine
CID 130107872
[4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine
CID 130099744

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine (CID 118808483) is [3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine is NCc1ncc(I)c(C(F)F)c1Cl.
What is the InChIKey of [3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine?
The InChIKey is RSUQNNUBZGNNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2IN2/c8-6-4(1-12)13-2-3(11)5(6)7(9)10/h2,7H,1,12H2.
What are the key properties of [3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine?
[3-chloro-4-(difluoromethyl)-5-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 [3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine is sourced from PubChem (CID 118808483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).