1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol

C8H10ClN5O2 — CID 170825667

IUPAC1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ncc(Cl)cc1N
InChIInChI=1S/C8H10ClN5O2/c9-4-1-5(10)7(12-2-4)8(16)6(15)3-13-14-11/h1-2,6,8,15-16H,3,10H2
InChIKeyFEKSSRGBBZVYLW-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.02
Rot. Bonds4

About 1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol

1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol (PubChem CID 170825667) has the molecular formula C8H10ClN5O2 and a molecular weight of 243.65 g/mol. Its IUPAC name is 1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol.

Molecular Properties

Compound Name1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol
PubChem CID170825667
Molecular FormulaC8H10ClN5O2
Molecular Weight243.65 g/mol
Exact Mass243.05
IUPAC Name1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1ncc(Cl)cc1N
InChIInChI=1S/C8H10ClN5O2/c9-4-1-5(10)7(12-2-4)8(16)6(15)3-13-14-11/h1-2,6,8,15-16H,3,10H2
InChIKeyFEKSSRGBBZVYLW-UHFFFAOYSA-N
XLogP1.02
TPSA128.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol
CID 170825722
1-(5-amino-2-methyl-3-pyridinyl)-3-azidopropane-1,2-diol
CID 170825677
3-azido-1-(4-chloro-2,6-difluorophenyl)propane-1,2-diol
CID 170827235
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
CID 170825484
1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol
CID 170826103
1-(6-amino-3-methyl-2-pyridinyl)-3-azidopropane-1,2-diol
CID 170825697
ethyl 3-(3-amino-5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865754
1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760
1-(4-amino-2-chloro-3-fluorophenyl)-3-azidopropane-1,2-diol
CID 170826101
3-azido-1-(2-chloro-5-nitro-3-pyridinyl)propane-1,2-diol
CID 170826393
2-(3-azido-1,2-dihydroxypropyl)-4-chlorobenzaldehyde
CID 170825905

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol?
The IUPAC name of 1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol (CID 170825667) is 1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol.
What is the SMILES notation for 1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol?
The canonical SMILES for 1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1ncc(Cl)cc1N.
What is the InChIKey of 1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol?
The InChIKey is FEKSSRGBBZVYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O2/c9-4-1-5(10)7(12-2-4)8(16)6(15)3-13-14-11/h1-2,6,8,15-16H,3,10H2.
What are the key properties of 1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol?
1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol has a molecular weight of 243.65 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol is sourced from PubChem (CID 170825667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).