(5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten

C11H16ClN2O2W- — CID 168918393

IUPAC(5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten
SMILESC1CC[N-]C1.COc1cc(CO)c(Cl)cn1.[W]
InChIInChI=1S/C7H8ClNO2.C4H8N.W/c1-11-7-2-5(4-10)6(8)3-9-7;1-2-4-5-3-1;/h2-3,10H,4H2,1H3;1-4H2;/q;-1;
InChIKeySSWMPFFTYQOGJZ-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.39
Rot. Bonds2

About (5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten

(5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten (PubChem CID 168918393) has the molecular formula C11H16ClN2O2W- and a molecular weight of 427.55 g/mol. Its IUPAC name is (5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten.

Molecular Properties

Compound Name(5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten
PubChem CID168918393
Molecular FormulaC11H16ClN2O2W-
Molecular Weight427.55 g/mol
Exact Mass427.04
IUPAC Name(5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten
SMILESC1CC[N-]C1.COc1cc(CO)c(Cl)cn1.[W]
InChIInChI=1S/C7H8ClNO2.C4H8N.W/c1-11-7-2-5(4-10)6(8)3-9-7;1-2-4-5-3-1;/h2-3,10H,4H2,1H3;1-4H2;/q;-1;
InChIKeySSWMPFFTYQOGJZ-UHFFFAOYSA-N
XLogP2.39
TPSA56.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten?
The IUPAC name of (5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten (CID 168918393) is (5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten.
What is the SMILES notation for (5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten?
The canonical SMILES for (5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten is C1CC[N-]C1.COc1cc(CO)c(Cl)cn1.[W].
What is the InChIKey of (5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten?
The InChIKey is SSWMPFFTYQOGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2.C4H8N.W/c1-11-7-2-5(4-10)6(8)3-9-7;1-2-4-5-3-1;/h2-3,10H,4H2,1H3;1-4H2;/q;-1;.
What are the key properties of (5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten?
(5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten has a molecular weight of 427.55 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxy-4-pyridinyl)methanol;pyrrolidin-1-ide;tungsten is sourced from PubChem (CID 168918393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).