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

C7H6ClF2IN2 — CID 130073082

IUPAC[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine
SMILESNCc1cc(I)c(C(F)F)c(Cl)n1
InChIInChI=1S/C7H6ClF2IN2/c8-6-5(7(9)10)4(11)1-3(2-12)13-6/h1,7H,2,12H2
InChIKeyYAPGKBOSLUMTIP-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.74
Rot. Bonds2

About [6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine

[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine (PubChem CID 130073082) has the molecular formula C7H6ClF2IN2 and a molecular weight of 318.49 g/mol. Its IUPAC name is [6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine
PubChem CID130073082
Molecular FormulaC7H6ClF2IN2
Molecular Weight318.49 g/mol
Exact Mass317.92
IUPAC Name[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine
SMILESNCc1cc(I)c(C(F)F)c(Cl)n1
InChIInChI=1S/C7H6ClF2IN2/c8-6-5(7(9)10)4(11)1-3(2-12)13-6/h1,7H,2,12H2
InChIKeyYAPGKBOSLUMTIP-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
CID 130074108
methyl 2-[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134663513
6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide
CID 119025115
6-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridin-2-amine
CID 118997828
[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine
CID 130085953
2,4-dichloro-3-(difluoromethyl)-6-iodopyridine
CID 118998644
[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]methanamine
CID 130085511
2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
CID 130102739
[3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine
CID 118808483
[6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol
CID 119008071
[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118814520
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705

Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine?
The IUPAC name of [6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine (CID 130073082) is [6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine.
What is the SMILES notation for [6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine?
The canonical SMILES for [6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine is NCc1cc(I)c(C(F)F)c(Cl)n1.
What is the InChIKey of [6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine?
The InChIKey is YAPGKBOSLUMTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2IN2/c8-6-5(7(9)10)4(11)1-3(2-12)13-6/h1,7H,2,12H2.
What are the key properties of [6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine?
[6-chloro-5-(difluoromethyl)-4-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 [6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine is sourced from PubChem (CID 130073082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).