[4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol

C7H8Cl2N2O — CID 169147127

IUPAC[4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol
SMILESCNc1c(Cl)cc(Cl)nc1CO
InChIInChI=1S/C7H8Cl2N2O/c1-10-7-4(8)2-6(9)11-5(7)3-12/h2,10,12H,3H2,1H3
InChIKeyOOAZRCOJIBDXHY-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.92
Rot. Bonds2

About [4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol

[4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol (PubChem CID 169147127) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is [4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol
PubChem CID169147127
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name[4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol
SMILESCNc1c(Cl)cc(Cl)nc1CO
InChIInChI=1S/C7H8Cl2N2O/c1-10-7-4(8)2-6(9)11-5(7)3-12/h2,10,12H,3H2,1H3
InChIKeyOOAZRCOJIBDXHY-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of [4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol?
The IUPAC name of [4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol (CID 169147127) is [4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol.
What is the SMILES notation for [4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol?
The canonical SMILES for [4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol is CNc1c(Cl)cc(Cl)nc1CO.
What is the InChIKey of [4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol?
The InChIKey is OOAZRCOJIBDXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O/c1-10-7-4(8)2-6(9)11-5(7)3-12/h2,10,12H,3H2,1H3.
What are the key properties of [4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol?
[4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol has a molecular weight of 207.06 g/mol, XLogP of 1.92, 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-(methylamino)-2-pyridinyl]methanol is sourced from PubChem (CID 169147127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).