5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine

C13H16Cl2N2 — CID 64520424

IUPAC5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
SMILESClCc1nc(N(CC2CC2)C2CC2)ccc1Cl
InChIInChI=1S/C13H16Cl2N2/c14-7-12-11(15)5-6-13(16-12)17(10-3-4-10)8-9-1-2-9/h5-6,9-10H,1-4,7-8H2
InChIKeyNHRPTTOJEXZGBT-UHFFFAOYSA-N
MW271.19 g/mol
LogP3.85
Rot. Bonds5

About 5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine

5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine (PubChem CID 64520424) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
PubChem CID64520424
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Name5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
SMILESClCc1nc(N(CC2CC2)C2CC2)ccc1Cl
InChIInChI=1S/C13H16Cl2N2/c14-7-12-11(15)5-6-13(16-12)17(10-3-4-10)8-9-1-2-9/h5-6,9-10H,1-4,7-8H2
InChIKeyNHRPTTOJEXZGBT-UHFFFAOYSA-N
XLogP3.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine (CID 64520424) is 5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine is ClCc1nc(N(CC2CC2)C2CC2)ccc1Cl.
What is the InChIKey of 5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine?
The InChIKey is NHRPTTOJEXZGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2/c14-7-12-11(15)5-6-13(16-12)17(10-3-4-10)8-9-1-2-9/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine?
5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine has a molecular weight of 271.19 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(chloromethyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine is sourced from PubChem (CID 64520424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).