(cyclopropylmethylamino) 4-chloropyridine-2-carboxylate

C10H11ClN2O2 — CID 150438541

IUPAC(cyclopropylmethylamino) 4-chloropyridine-2-carboxylate
SMILESO=C(ONCC1CC1)c1cc(Cl)ccn1
InChIInChI=1S/C10H11ClN2O2/c11-8-3-4-12-9(5-8)10(14)15-13-6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyHLGZUEKNXIJZID-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.81
Rot. Bonds4

About (cyclopropylmethylamino) 4-chloropyridine-2-carboxylate

(cyclopropylmethylamino) 4-chloropyridine-2-carboxylate (PubChem CID 150438541) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is (cyclopropylmethylamino) 4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Name(cyclopropylmethylamino) 4-chloropyridine-2-carboxylate
PubChem CID150438541
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name(cyclopropylmethylamino) 4-chloropyridine-2-carboxylate
SMILESO=C(ONCC1CC1)c1cc(Cl)ccn1
InChIInChI=1S/C10H11ClN2O2/c11-8-3-4-12-9(5-8)10(14)15-13-6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyHLGZUEKNXIJZID-UHFFFAOYSA-N
XLogP1.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (cyclopropylmethylamino) 4-chloropyridine-2-carboxylate?
The IUPAC name of (cyclopropylmethylamino) 4-chloropyridine-2-carboxylate (CID 150438541) is (cyclopropylmethylamino) 4-chloropyridine-2-carboxylate.
What is the SMILES notation for (cyclopropylmethylamino) 4-chloropyridine-2-carboxylate?
The canonical SMILES for (cyclopropylmethylamino) 4-chloropyridine-2-carboxylate is O=C(ONCC1CC1)c1cc(Cl)ccn1.
What is the InChIKey of (cyclopropylmethylamino) 4-chloropyridine-2-carboxylate?
The InChIKey is HLGZUEKNXIJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-8-3-4-12-9(5-8)10(14)15-13-6-7-1-2-7/h3-5,7,13H,1-2,6H2.
What are the key properties of (cyclopropylmethylamino) 4-chloropyridine-2-carboxylate?
(cyclopropylmethylamino) 4-chloropyridine-2-carboxylate has a molecular weight of 226.66 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopropylmethylamino) 4-chloropyridine-2-carboxylate is sourced from PubChem (CID 150438541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).