(2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol

C8H10Cl2N2O — CID 130613594

IUPAC(2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol
SMILESC[C@](N)(CO)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H10Cl2N2O/c1-8(11,4-13)5-2-6(9)7(10)12-3-5/h2-3,13H,4,11H2,1H3/t8-/m0/s1
InChIKeyNRRGEUJGCGRGQY-QMMMGPOBSA-N
MW221.09 g/mol
LogP1.55
Rot. Bonds2

About (2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol

(2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol (PubChem CID 130613594) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is (2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol
PubChem CID130613594
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name(2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol
SMILESC[C@](N)(CO)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H10Cl2N2O/c1-8(11,4-13)5-2-6(9)7(10)12-3-5/h2-3,13H,4,11H2,1H3/t8-/m0/s1
InChIKeyNRRGEUJGCGRGQY-QMMMGPOBSA-N
XLogP1.55
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 51.55
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

(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol
CID 130721867
5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol
CID 55276734
(2R)-2-amino-2-(5-methyl-3-pyridinyl)propan-1-ol
CID 130987369
2-amino-2-(5-fluoro-3-pyridinyl)propan-1-ol
CID 55292830
(2S)-2-amino-2-(4-amino-3-bromo-5-chlorophenyl)propan-1-ol
CID 130611672
(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol
CID 130742500
5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid
CID 55276625
(2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol
CID 130613603
(2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol
CID 131218511
(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol
CID 130690627
5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde
CID 55274198
5-[(2R)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 130640858

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol?
The IUPAC name of (2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol (CID 130613594) is (2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol is C[C@](N)(CO)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol?
The InChIKey is NRRGEUJGCGRGQY-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-8(11,4-13)5-2-6(9)7(10)12-3-5/h2-3,13H,4,11H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol?
(2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol has a molecular weight of 221.09 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 130613594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).