[[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile

C15H10BClN4 — CID 144667044

IUPAC[[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile
SMILESCB(C#N)c1cc(-c2cnc3ccc(Cl)nc3c2)ccn1
InChIInChI=1S/C15H10BClN4/c1-16(9-18)14-7-10(4-5-19-14)11-6-13-12(20-8-11)2-3-15(17)21-13/h2-8H,1H3
InChIKeyIUEHLEMYPCHIIT-UHFFFAOYSA-N
MW292.54 g/mol
LogP2.74
Rot. Bonds2

About [[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile

[[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile (PubChem CID 144667044) has the molecular formula C15H10BClN4 and a molecular weight of 292.54 g/mol. Its IUPAC name is [[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile.

Molecular Properties

Compound Name[[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile
PubChem CID144667044
Molecular FormulaC15H10BClN4
Molecular Weight292.54 g/mol
Exact Mass292.07
IUPAC Name[[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile
SMILESCB(C#N)c1cc(-c2cnc3ccc(Cl)nc3c2)ccn1
InChIInChI=1S/C15H10BClN4/c1-16(9-18)14-7-10(4-5-19-14)11-6-13-12(20-8-11)2-3-15(17)21-13/h2-8H,1H3
InChIKeyIUEHLEMYPCHIIT-UHFFFAOYSA-N
XLogP2.74
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.54
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile?
The IUPAC name of [[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile (CID 144667044) is [[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile.
What is the SMILES notation for [[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile?
The canonical SMILES for [[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile is CB(C#N)c1cc(-c2cnc3ccc(Cl)nc3c2)ccn1.
What is the InChIKey of [[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile?
The InChIKey is IUEHLEMYPCHIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BClN4/c1-16(9-18)14-7-10(4-5-19-14)11-6-13-12(20-8-11)2-3-15(17)21-13/h2-8H,1H3.
What are the key properties of [[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile?
[[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile has a molecular weight of 292.54 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(6-chloro-1,5-naphthyridin-3-yl)-2-pyridinyl]-methylboranyl]formonitrile is sourced from PubChem (CID 144667044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).