[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol

C13H11ClN4O — CID 90288841

IUPAC[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(CO)n1
InChIInChI=1S/C13H11ClN4O/c1-18-6-9(12(7-19)17-18)8-4-11-10(15-5-8)2-3-13(14)16-11/h2-6,19H,7H2,1H3
InChIKeyDJXBRLBJEIFBHH-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.18
Rot. Bonds2

About [4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol

[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol (PubChem CID 90288841) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is [4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol
PubChem CID90288841
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(CO)n1
InChIInChI=1S/C13H11ClN4O/c1-18-6-9(12(7-19)17-18)8-4-11-10(15-5-8)2-3-13(14)16-11/h2-6,19H,7H2,1H3
InChIKeyDJXBRLBJEIFBHH-UHFFFAOYSA-N
XLogP2.18
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol?
The IUPAC name of [4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol (CID 90288841) is [4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol?
The canonical SMILES for [4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol is Cn1cc(-c2cnc3ccc(Cl)nc3c2)c(CO)n1.
What is the InChIKey of [4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol?
The InChIKey is DJXBRLBJEIFBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-18-6-9(12(7-19)17-18)8-4-11-10(15-5-8)2-3-13(14)16-11/h2-6,19H,7H2,1H3.
What are the key properties of [4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol?
[4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol has a molecular weight of 274.71 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-1,5-naphthyridin-3-yl)-1-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 90288841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).