(3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride

C8H11Cl3N2O — CID 171224260

IUPAC(3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1c(Cl)cncc1Cl
InChIInChI=1S/C8H10Cl2N2O.ClH/c9-5-3-12-4-6(10)8(5)7(11)1-2-13;/h3-4,7,13H,1-2,11H2;1H/t7-;/m0./s1
InChIKeyODXAQKOYMQWMHN-FJXQXJEOSA-N
MW257.55 g/mol
LogP2.19
Rot. Bonds3

About (3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride

(3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride (PubChem CID 171224260) has the molecular formula C8H11Cl3N2O and a molecular weight of 257.55 g/mol. Its IUPAC name is (3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride
PubChem CID171224260
Molecular FormulaC8H11Cl3N2O
Molecular Weight257.55 g/mol
Exact Mass255.99
IUPAC Name(3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1c(Cl)cncc1Cl
InChIInChI=1S/C8H10Cl2N2O.ClH/c9-5-3-12-4-6(10)8(5)7(11)1-2-13;/h3-4,7,13H,1-2,11H2;1H/t7-;/m0./s1
InChIKeyODXAQKOYMQWMHN-FJXQXJEOSA-N
XLogP2.19
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.55
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3,5-dichloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171204667
(1S)-1-(3,5-dichloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224240
3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol
CID 55272447
3-amino-3-(2,3,6-trichlorophenyl)propan-1-ol;hydrochloride
CID 170874474
(1R)-1-(3,5-dichloro-4-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171204661
(1S)-1-(3,5-dichloro-4-pyridinyl)but-3-en-1-amine
CID 131186746
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine
CID 130917410
(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride
CID 171217462
(3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol
CID 131518372
(3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol
CID 130665412
(3R)-3-amino-3-(2-chloro-6-methylphenyl)propan-1-ol
CID 55264930

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride (CID 171224260) is (3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride is Cl.N[C@@H](CCO)c1c(Cl)cncc1Cl.
What is the InChIKey of (3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride?
The InChIKey is ODXAQKOYMQWMHN-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H10Cl2N2O.ClH/c9-5-3-12-4-6(10)8(5)7(11)1-2-13;/h3-4,7,13H,1-2,11H2;1H/t7-;/m0./s1.
What are the key properties of (3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride?
(3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride has a molecular weight of 257.55 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171224260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).