4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine

C7H5ClF3IN2 — CID 166080717

IUPAC4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc(N)c(I)c(Cl)c1C(F)(F)F
InChIInChI=1S/C7H5ClF3IN2/c1-2-3(7(9,10)11)4(8)5(12)6(13)14-2/h1H3,(H2,13,14)
InChIKeyGQYXXQJCKPNSRC-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.25
Rot. Bonds

About 4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine

4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 166080717) has the molecular formula C7H5ClF3IN2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID166080717
Molecular FormulaC7H5ClF3IN2
Molecular Weight336.48 g/mol
Exact Mass335.91
IUPAC Name4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc(N)c(I)c(Cl)c1C(F)(F)F
InChIInChI=1S/C7H5ClF3IN2/c1-2-3(7(9,10)11)4(8)5(12)6(13)14-2/h1H3,(H2,13,14)
InChIKeyGQYXXQJCKPNSRC-UHFFFAOYSA-N
XLogP3.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 166080717) is 4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine is Cc1nc(N)c(I)c(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GQYXXQJCKPNSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3IN2/c1-2-3(7(9,10)11)4(8)5(12)6(13)14-2/h1H3,(H2,13,14).
What are the key properties of 4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine?
4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 336.48 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-6-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 166080717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).