(1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol

C9H13ClN2O — CID 131124378

IUPAC(1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol
SMILESCc1cc([C@H](O)[C@@H](C)N)cnc1Cl
InChIInChI=1S/C9H13ClN2O/c1-5-3-7(4-12-9(5)10)8(13)6(2)11/h3-4,6,8,13H,11H2,1-2H3/t6-,8-/m1/s1
InChIKeyDYDWMFIGPIDGPI-HTRCEHHLSA-N
MW200.67 g/mol
LogP1.42
Rot. Bonds2

About (1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol

(1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol (PubChem CID 131124378) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol
PubChem CID131124378
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name(1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol
SMILESCc1cc([C@H](O)[C@@H](C)N)cnc1Cl
InChIInChI=1S/C9H13ClN2O/c1-5-3-7(4-12-9(5)10)8(13)6(2)11/h3-4,6,8,13H,11H2,1-2H3/t6-,8-/m1/s1
InChIKeyDYDWMFIGPIDGPI-HTRCEHHLSA-N
XLogP1.42
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.42
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

4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
CID 171880956
4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900665
1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889916
(1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol
CID 131010797
(2R)-2-[(S)-(6-chloro-5-methyl-3-pyridinyl)-hydroxymethyl]pent-4-ynoic acid
CID 122674358
(1S,2R)-2-amino-1-(3,5-dichlorophenyl)propan-1-ol
CID 93304578
2-amino-1-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propan-1-ol
CID 84675057
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82395059
2-amino-1-(5-chloropyrazin-2-yl)propan-1-ol
CID 112709553
(1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol
CID 130706086
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol?
The IUPAC name of (1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol (CID 131124378) is (1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol is Cc1cc([C@H](O)[C@@H](C)N)cnc1Cl.
What is the InChIKey of (1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol?
The InChIKey is DYDWMFIGPIDGPI-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-5-3-7(4-12-9(5)10)8(13)6(2)11/h3-4,6,8,13H,11H2,1-2H3/t6-,8-/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol?
(1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 131124378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).