1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol

C8H11ClN2O — CID 82254133

IUPAC1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol
SMILES[H]/N=c1\ccccn1CC(O)CCl
InChIInChI=1S/C8H11ClN2O/c9-5-7(12)6-11-4-2-1-3-8(11)10/h1-4,7,10,12H,5-6H2/b10-8+
InChIKeyPZKOAQWAQHYHET-CSKARUKUSA-N
MW186.64 g/mol
LogP0.57
Rot. Bonds3

About 1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol

1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol (PubChem CID 82254133) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol
PubChem CID82254133
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol
SMILES[H]/N=c1\ccccn1CC(O)CCl
InChIInChI=1S/C8H11ClN2O/c9-5-7(12)6-11-4-2-1-3-8(11)10/h1-4,7,10,12H,5-6H2/b10-8+
InChIKeyPZKOAQWAQHYHET-CSKARUKUSA-N
XLogP0.57
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol?
The IUPAC name of 1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol (CID 82254133) is 1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol?
The canonical SMILES for 1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol is [H]/N=c1\ccccn1CC(O)CCl.
What is the InChIKey of 1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol?
The InChIKey is PZKOAQWAQHYHET-CSKARUKUSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-5-7(12)6-11-4-2-1-3-8(11)10/h1-4,7,10,12H,5-6H2/b10-8+.
What are the key properties of 1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol?
1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol has a molecular weight of 186.64 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-imino-1-pyridinyl)propan-2-ol is sourced from PubChem (CID 82254133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).