2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol

C9H14ClN3O2 — CID 115473782

IUPAC2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1ccc(Cl)nc1N(CCO)CCO
InChIInChI=1S/C9H14ClN3O2/c10-8-2-1-7(11)9(12-8)13(3-5-14)4-6-15/h1-2,14-15H,3-6,11H2
InChIKeyCXRLTMPDBLHVQN-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.11
Rot. Bonds5

About 2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol

2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 115473782) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
PubChem CID115473782
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1ccc(Cl)nc1N(CCO)CCO
InChIInChI=1S/C9H14ClN3O2/c10-8-2-1-7(11)9(12-8)13(3-5-14)4-6-15/h1-2,14-15H,3-6,11H2
InChIKeyCXRLTMPDBLHVQN-UHFFFAOYSA-N
XLogP0.11
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine
CID 113316760
5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107197978
3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 115473977
6-chloro-2-N,2-N-bis(cyclopropylmethyl)pyridine-2,3-diamine
CID 115474204
2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 79827356
6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine
CID 115474337
3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
CID 115473663
methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate
CID 114405754
6-chloro-2-N-ethyl-2-N-(4-methylphenyl)pyridine-2,3-diamine
CID 115474047
6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115474266
2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol
CID 102757794
2-(2-amino-N-ethyl-5-methylanilino)ethanol
CID 57376084

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol (CID 115473782) is 2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol is Nc1ccc(Cl)nc1N(CCO)CCO.
What is the InChIKey of 2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is CXRLTMPDBLHVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c10-8-2-1-7(11)9(12-8)13(3-5-14)4-6-15/h1-2,14-15H,3-6,11H2.
What are the key properties of 2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 231.68 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 115473782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).