5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine

C12H11ClIN3S — CID 170165892

IUPAC5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine
SMILESCSCc1ccnc(Nc2cc(I)c(Cl)cn2)c1
InChIInChI=1S/C12H11ClIN3S/c1-18-7-8-2-3-15-11(4-8)17-12-5-10(14)9(13)6-16-12/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyWRGOREZDKHNBJI-UHFFFAOYSA-N
MW391.67 g/mol
LogP4.34
Rot. Bonds4

About 5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine

5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 170165892) has the molecular formula C12H11ClIN3S and a molecular weight of 391.67 g/mol. Its IUPAC name is 5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID170165892
Molecular FormulaC12H11ClIN3S
Molecular Weight391.67 g/mol
Exact Mass390.94
IUPAC Name5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine
SMILESCSCc1ccnc(Nc2cc(I)c(Cl)cn2)c1
InChIInChI=1S/C12H11ClIN3S/c1-18-7-8-2-3-15-11(4-8)17-12-5-10(14)9(13)6-16-12/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyWRGOREZDKHNBJI-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.67
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine (CID 170165892) is 5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine is CSCc1ccnc(Nc2cc(I)c(Cl)cn2)c1.
What is the InChIKey of 5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is WRGOREZDKHNBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN3S/c1-18-7-8-2-3-15-11(4-8)17-12-5-10(14)9(13)6-16-12/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of 5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine?
5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 391.67 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 170165892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).