2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride

C8H12Cl2N2O — CID 170892799

IUPAC2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2O.ClH/c9-8-2-1-6(4-11-8)3-7(10)5-12;/h1-2,4,7,12H,3,5,10H2;1H
InChIKeyJFKAHPSFNQYKIF-UHFFFAOYSA-N
MW223.10 g/mol
LogP1.02
Rot. Bonds3

About 2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride

2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride (PubChem CID 170892799) has the molecular formula C8H12Cl2N2O and a molecular weight of 223.10 g/mol. Its IUPAC name is 2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride
PubChem CID170892799
Molecular FormulaC8H12Cl2N2O
Molecular Weight223.10 g/mol
Exact Mass222.03
IUPAC Name2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2O.ClH/c9-8-2-1-6(4-11-8)3-7(10)5-12;/h1-2,4,7,12H,3,5,10H2;1H
InChIKeyJFKAHPSFNQYKIF-UHFFFAOYSA-N
XLogP1.02
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine
CID 18365459
4-(6-chloro-3-pyridinyl)butane-1,3-diamine
CID 18365460
dimethyl 2-[(6-chloro-3-pyridinyl)methyl]propanedioate
CID 103972363
2-chloro-5-[(2S)-2-methylbutyl]pyridine
CID 56840075
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 104680894
2-amino-3-(4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
CID 170892708
(6-chloro-3-pyridinyl)methylhydrazine;hydrochloride
CID 53229944
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 83067082
2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene
CID 161342244
(2S)-2-[(6-chloro-3-pyridinyl)methylamino]-3-methylbutan-1-ol
CID 103740251

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride (CID 170892799) is 2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride is Cl.NC(CO)Cc1ccc(Cl)nc1.
What is the InChIKey of 2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride?
The InChIKey is JFKAHPSFNQYKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O.ClH/c9-8-2-1-6(4-11-8)3-7(10)5-12;/h1-2,4,7,12H,3,5,10H2;1H.
What are the key properties of 2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride?
2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride has a molecular weight of 223.10 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-chloro-3-pyridinyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170892799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).