2-chloro-N-(cyclopropylmethyl)pyridin-3-amine

C9H11ClN2 — CID 43690086

IUPAC2-chloro-N-(cyclopropylmethyl)pyridin-3-amine
SMILESClc1ncccc1NCC1CC1
InChIInChI=1S/C9H11ClN2/c10-9-8(2-1-5-11-9)12-6-7-3-4-7/h1-2,5,7,12H,3-4,6H2
InChIKeyFCLPHGLCHCUBEJ-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.56
Rot. Bonds3

About 2-chloro-N-(cyclopropylmethyl)pyridin-3-amine

2-chloro-N-(cyclopropylmethyl)pyridin-3-amine (PubChem CID 43690086) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)pyridin-3-amine
PubChem CID43690086
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name2-chloro-N-(cyclopropylmethyl)pyridin-3-amine
SMILESClc1ncccc1NCC1CC1
InChIInChI=1S/C9H11ClN2/c10-9-8(2-1-5-11-9)12-6-7-3-4-7/h1-2,5,7,12H,3-4,6H2
InChIKeyFCLPHGLCHCUBEJ-UHFFFAOYSA-N
XLogP2.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)pyridin-3-amine (CID 43690086) is 2-chloro-N-(cyclopropylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)pyridin-3-amine is Clc1ncccc1NCC1CC1.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)pyridin-3-amine?
The InChIKey is FCLPHGLCHCUBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c10-9-8(2-1-5-11-9)12-6-7-3-4-7/h1-2,5,7,12H,3-4,6H2.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)pyridin-3-amine?
2-chloro-N-(cyclopropylmethyl)pyridin-3-amine has a molecular weight of 182.65 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)pyridin-3-amine is sourced from PubChem (CID 43690086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).