(3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol

C10H13ClN2O2 — CID 129272077

IUPAC(3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol
SMILESNc1ncc(Cl)cc1[C@@H]1CCOC[C@@H]1O
InChIInChI=1S/C10H13ClN2O2/c11-6-3-8(10(12)13-4-6)7-1-2-15-5-9(7)14/h3-4,7,9,14H,1-2,5H2,(H2,12,13)/t7-,9-/m0/s1
InChIKeyXMKYBPHAOIABRY-CBAPKCEASA-N
MW228.68 g/mol
LogP1.18
Rot. Bonds1

About (3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol

(3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol (PubChem CID 129272077) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol
PubChem CID129272077
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol
SMILESNc1ncc(Cl)cc1[C@@H]1CCOC[C@@H]1O
InChIInChI=1S/C10H13ClN2O2/c11-6-3-8(10(12)13-4-6)7-1-2-15-5-9(7)14/h3-4,7,9,14H,1-2,5H2,(H2,12,13)/t7-,9-/m0/s1
InChIKeyXMKYBPHAOIABRY-CBAPKCEASA-N
XLogP1.18
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Amino-5-chloro-3-pyridinyl)-(2-fluorophenyl)methanol
CID 64133295
1-(2-Amino-5-chloro-3-pyridinyl)-2-(4-fluorophenyl)ethanol
CID 64133305
(2-Amino-5-chloro-3-pyridinyl)-(3-fluorophenyl)methanol
CID 64133497
1-(2-Amino-5-chloro-3-pyridinyl)-2-(3-fluorophenyl)ethanol
CID 64133917
1-(2-Amino-5-chloro-3-pyridinyl)-3,3,3-trifluoropropan-1-ol
CID 64134123
1-(2-Amino-5-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol
CID 64134125
1-(2-Amino-5-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanol
CID 64134326
(2-Amino-5-chloro-3-pyridinyl)-(3,5-difluorophenyl)methanol
CID 64134329
5-Chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 64134979
(2-Amino-5-chloro-3-pyridinyl)-(4-fluorophenyl)methanol
CID 64135957
(2-Amino-5-chloro-3-pyridinyl)-(3,4,5-trifluorophenyl)methanol
CID 64136166
5-Chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-amine
CID 64136211

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol?
The IUPAC name of (3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol (CID 129272077) is (3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol.
What is the SMILES notation for (3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol?
The canonical SMILES for (3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol is Nc1ncc(Cl)cc1[C@@H]1CCOC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol?
The InChIKey is XMKYBPHAOIABRY-CBAPKCEASA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-6-3-8(10(12)13-4-6)7-1-2-15-5-9(7)14/h3-4,7,9,14H,1-2,5H2,(H2,12,13)/t7-,9-/m0/s1.
What are the key properties of (3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol?
(3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol has a molecular weight of 228.68 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol is sourced from PubChem (CID 129272077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).