2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol

C10H14ClN3O — CID 104924180

IUPAC2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol
SMILESNc1cc(Cl)nc(NCC(O)C2CC2)c1
InChIInChI=1S/C10H14ClN3O/c11-9-3-7(12)4-10(14-9)13-5-8(15)6-1-2-6/h3-4,6,8,15H,1-2,5H2,(H3,12,13,14)
InChIKeySHJVFIKMQLLFSE-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.50
Rot. Bonds4

About 2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol

2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol (PubChem CID 104924180) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol
PubChem CID104924180
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol
SMILESNc1cc(Cl)nc(NCC(O)C2CC2)c1
InChIInChI=1S/C10H14ClN3O/c11-9-3-7(12)4-10(14-9)13-5-8(15)6-1-2-6/h3-4,6,8,15H,1-2,5H2,(H3,12,13,14)
InChIKeySHJVFIKMQLLFSE-UHFFFAOYSA-N
XLogP1.50
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol?
The IUPAC name of 2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol (CID 104924180) is 2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol is Nc1cc(Cl)nc(NCC(O)C2CC2)c1.
What is the InChIKey of 2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol?
The InChIKey is SHJVFIKMQLLFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-3-7(12)4-10(14-9)13-5-8(15)6-1-2-6/h3-4,6,8,15H,1-2,5H2,(H3,12,13,14).
What are the key properties of 2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol?
2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol has a molecular weight of 227.69 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol is sourced from PubChem (CID 104924180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).