(1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol

C9H13ClN2O — CID 130863797

IUPAC(1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol
SMILESCC[C@@H](N)[C@@H](O)c1ccc(Cl)cn1
InChIInChI=1S/C9H13ClN2O/c1-2-7(11)9(13)8-4-3-6(10)5-12-8/h3-5,7,9,13H,2,11H2,1H3/t7-,9-/m1/s1
InChIKeyRUJTXVPJURMNAV-VXNVDRBHSA-N
MW200.67 g/mol
LogP1.51
Rot. Bonds3

About (1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol

(1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol (PubChem CID 130863797) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol
PubChem CID130863797
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name(1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol
SMILESCC[C@@H](N)[C@@H](O)c1ccc(Cl)cn1
InChIInChI=1S/C9H13ClN2O/c1-2-7(11)9(13)8-4-3-6(10)5-12-8/h3-5,7,9,13H,2,11H2,1H3/t7-,9-/m1/s1
InChIKeyRUJTXVPJURMNAV-VXNVDRBHSA-N
XLogP1.51
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865586
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CID 75524979
1-(5-chloro-2-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889689
2-amino-1-quinolin-2-ylbutan-1-ol
CID 64955097
(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride
CID 139490132
3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine
CID 63197527
(1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 130898767
(1S)-1-(5-chloro-2-pyridinyl)-4,4-dimethylpentan-1-ol
CID 157416756
2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol
CID 130893189
(1R,2R)-2-amino-1-(2-chloro-4-pyridinyl)butan-1-ol
CID 131060387
2-(5-chloro-2-pyridinyl)-N-methylpentan-3-amine
CID 63560015

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol?
The IUPAC name of (1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol (CID 130863797) is (1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol?
The canonical SMILES for (1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol is CC[C@@H](N)[C@@H](O)c1ccc(Cl)cn1.
What is the InChIKey of (1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol?
The InChIKey is RUJTXVPJURMNAV-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-2-7(11)9(13)8-4-3-6(10)5-12-8/h3-5,7,9,13H,2,11H2,1H3/t7-,9-/m1/s1.
What are the key properties of (1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol?
(1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1-(5-chloro-2-pyridinyl)butan-1-ol is sourced from PubChem (CID 130863797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).