(R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine

C9H10ClIN2 — CID 130632181

IUPAC(R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine
SMILESN[C@@H](c1cc(I)cnc1Cl)C1CC1
InChIInChI=1S/C9H10ClIN2/c10-9-7(3-6(11)4-13-9)8(12)5-1-2-5/h3-5,8H,1-2,12H2/t8-/m1/s1
InChIKeyYUYNVKNDWVNVAG-MRVPVSSYSA-N
MW308.55 g/mol
LogP2.75
Rot. Bonds2

About (R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine

(R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine (PubChem CID 130632181) has the molecular formula C9H10ClIN2 and a molecular weight of 308.55 g/mol. Its IUPAC name is (R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine
PubChem CID130632181
Molecular FormulaC9H10ClIN2
Molecular Weight308.55 g/mol
Exact Mass307.96
IUPAC Name(R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine
SMILESN[C@@H](c1cc(I)cnc1Cl)C1CC1
InChIInChI=1S/C9H10ClIN2/c10-9-7(3-6(11)4-13-9)8(12)5-1-2-5/h3-5,8H,1-2,12H2/t8-/m1/s1
InChIKeyYUYNVKNDWVNVAG-MRVPVSSYSA-N
XLogP2.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of (R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine?
The IUPAC name of (R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine (CID 130632181) is (R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine.
What is the SMILES notation for (R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine?
The canonical SMILES for (R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine is N[C@@H](c1cc(I)cnc1Cl)C1CC1.
What is the InChIKey of (R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine?
The InChIKey is YUYNVKNDWVNVAG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10ClIN2/c10-9-7(3-6(11)4-13-9)8(12)5-1-2-5/h3-5,8H,1-2,12H2/t8-/m1/s1.
What are the key properties of (R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine?
(R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine has a molecular weight of 308.55 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-chloro-5-iodo-3-pyridinyl)-cyclopropylmethanamine is sourced from PubChem (CID 130632181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).