(8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium

C9H5ClN3+ — CID 163792680

IUPAC(8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium
SMILESC#[N+]c1ccc2ccnc(Cl)c2n1
InChIInChI=1S/C9H5ClN3/c1-11-7-3-2-6-4-5-12-9(10)8(6)13-7/h1-5H/q+1
InChIKeyIQQDSHLRPKUGPC-UHFFFAOYSA-N
MW190.61 g/mol
LogP2.88
Rot. Bonds

About (8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium

(8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium (PubChem CID 163792680) has the molecular formula C9H5ClN3+ and a molecular weight of 190.61 g/mol. Its IUPAC name is (8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium.

Molecular Properties

Compound Name(8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium
PubChem CID163792680
Molecular FormulaC9H5ClN3+
Molecular Weight190.61 g/mol
Exact Mass190.02
IUPAC Name(8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium
SMILESC#[N+]c1ccc2ccnc(Cl)c2n1
InChIInChI=1S/C9H5ClN3/c1-11-7-3-2-6-4-5-12-9(10)8(6)13-7/h1-5H/q+1
InChIKeyIQQDSHLRPKUGPC-UHFFFAOYSA-N
XLogP2.88
TPSA30.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.61
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-2-(3-iodophenyl)-1,7-naphthyridine
CID 155340444
azirino[2,3-g]indole
CID 140512973
2,7-dichloro-1,8-phenanthroline
CID 14040331
4-chloro-1H-imidazo[4,5-c]pyridin-2-amine
CID 89405485
2-bromo-7-chloro-1-methylpyrrolo[2,3-c]pyridine
CID 84705243
2,3-dichloro-4-methylpyridine
CID 18930251
iron(2+);2,3,4,5,6-pentachlorophenol;1,10-phenanthroline
CID 158371036
8-chloro-N-[4-[(pyrimidin-2-ylamino)methyl]-1-bicyclo[2.2.2]octanyl]-1,7-naphthyridin-2-amine
CID 175994080
(3-chloro-4-iodo-2-pyridinyl)-methylidyneazanium
CID 163542048
1-chloro-8-(4-fluorophenoxy)-2,7-naphthyridine
CID 118875058
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);dihydrobromide
CID 70430219

Frequently Asked Questions

What is the IUPAC name of (8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium?
The IUPAC name of (8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium (CID 163792680) is (8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium.
What is the SMILES notation for (8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium?
The canonical SMILES for (8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium is C#[N+]c1ccc2ccnc(Cl)c2n1.
What is the InChIKey of (8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium?
The InChIKey is IQQDSHLRPKUGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN3/c1-11-7-3-2-6-4-5-12-9(10)8(6)13-7/h1-5H/q+1.
What are the key properties of (8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium?
(8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium has a molecular weight of 190.61 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-1,7-naphthyridin-2-yl)-methylidyneazanium is sourced from PubChem (CID 163792680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).