(4,6-dichloro-3-pyridinyl)-(methylamino)methanol

C7H8Cl2N2O — CID 163606144

IUPAC(4,6-dichloro-3-pyridinyl)-(methylamino)methanol
SMILESCNC(O)c1cnc(Cl)cc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-10-7(12)4-3-11-6(9)2-5(4)8/h2-3,7,10,12H,1H3
InChIKeyHBYPAEUEAHSBOT-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.60
Rot. Bonds2

About (4,6-dichloro-3-pyridinyl)-(methylamino)methanol

(4,6-dichloro-3-pyridinyl)-(methylamino)methanol (PubChem CID 163606144) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is (4,6-dichloro-3-pyridinyl)-(methylamino)methanol.

Molecular Properties

Compound Name(4,6-dichloro-3-pyridinyl)-(methylamino)methanol
PubChem CID163606144
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name(4,6-dichloro-3-pyridinyl)-(methylamino)methanol
SMILESCNC(O)c1cnc(Cl)cc1Cl
InChIInChI=1S/C7H8Cl2N2O/c1-10-7(12)4-3-11-6(9)2-5(4)8/h2-3,7,10,12H,1H3
InChIKeyHBYPAEUEAHSBOT-UHFFFAOYSA-N
XLogP1.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-3-pyridinyl)-(methylamino)methanol?
The IUPAC name of (4,6-dichloro-3-pyridinyl)-(methylamino)methanol (CID 163606144) is (4,6-dichloro-3-pyridinyl)-(methylamino)methanol.
What is the SMILES notation for (4,6-dichloro-3-pyridinyl)-(methylamino)methanol?
The canonical SMILES for (4,6-dichloro-3-pyridinyl)-(methylamino)methanol is CNC(O)c1cnc(Cl)cc1Cl.
What is the InChIKey of (4,6-dichloro-3-pyridinyl)-(methylamino)methanol?
The InChIKey is HBYPAEUEAHSBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-10-7(12)4-3-11-6(9)2-5(4)8/h2-3,7,10,12H,1H3.
What are the key properties of (4,6-dichloro-3-pyridinyl)-(methylamino)methanol?
(4,6-dichloro-3-pyridinyl)-(methylamino)methanol has a molecular weight of 207.06 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-3-pyridinyl)-(methylamino)methanol is sourced from PubChem (CID 163606144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).