(6-chloro-3-pyridinyl)-cyclopropylmethanamine

C9H11ClN2 — CID 55295463

IUPAC(6-chloro-3-pyridinyl)-cyclopropylmethanamine
SMILESNC(c1ccc(Cl)nc1)C1CC1
InChIInChI=1S/C9H11ClN2/c10-8-4-3-7(5-12-8)9(11)6-1-2-6/h3-6,9H,1-2,11H2
InChIKeyMWQALYAFCWBUPX-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.14
Rot. Bonds2

About (6-chloro-3-pyridinyl)-cyclopropylmethanamine

(6-chloro-3-pyridinyl)-cyclopropylmethanamine (PubChem CID 55295463) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-cyclopropylmethanamine
PubChem CID55295463
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name(6-chloro-3-pyridinyl)-cyclopropylmethanamine
SMILESNC(c1ccc(Cl)nc1)C1CC1
InChIInChI=1S/C9H11ClN2/c10-8-4-3-7(5-12-8)9(11)6-1-2-6/h3-6,9H,1-2,11H2
InChIKeyMWQALYAFCWBUPX-UHFFFAOYSA-N
XLogP2.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.14
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 (6-chloro-3-pyridinyl)-cyclopropylmethanamine?
The IUPAC name of (6-chloro-3-pyridinyl)-cyclopropylmethanamine (CID 55295463) is (6-chloro-3-pyridinyl)-cyclopropylmethanamine.
What is the SMILES notation for (6-chloro-3-pyridinyl)-cyclopropylmethanamine?
The canonical SMILES for (6-chloro-3-pyridinyl)-cyclopropylmethanamine is NC(c1ccc(Cl)nc1)C1CC1.
What is the InChIKey of (6-chloro-3-pyridinyl)-cyclopropylmethanamine?
The InChIKey is MWQALYAFCWBUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c10-8-4-3-7(5-12-8)9(11)6-1-2-6/h3-6,9H,1-2,11H2.
What are the key properties of (6-chloro-3-pyridinyl)-cyclopropylmethanamine?
(6-chloro-3-pyridinyl)-cyclopropylmethanamine has a molecular weight of 182.65 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-cyclopropylmethanamine is sourced from PubChem (CID 55295463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).