1,8-naphthyridine-2-carbonyl chloride

C9H5ClN2O — CID 129321879

IUPAC1,8-naphthyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ccc2cccnc2n1
InChIInChI=1S/C9H5ClN2O/c10-8(13)7-4-3-6-2-1-5-11-9(6)12-7/h1-5H
InChIKeyJDPVTLXKRNPCDC-UHFFFAOYSA-N
MW192.61 g/mol
LogP2.01
Rot. Bonds1

About 1,8-naphthyridine-2-carbonyl chloride

1,8-naphthyridine-2-carbonyl chloride (PubChem CID 129321879) has the molecular formula C9H5ClN2O and a molecular weight of 192.61 g/mol. Its IUPAC name is 1,8-naphthyridine-2-carbonyl chloride.

Molecular Properties

Compound Name1,8-naphthyridine-2-carbonyl chloride
PubChem CID129321879
Molecular FormulaC9H5ClN2O
Molecular Weight192.61 g/mol
Exact Mass192.01
IUPAC Name1,8-naphthyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ccc2cccnc2n1
InChIInChI=1S/C9H5ClN2O/c10-8(13)7-4-3-6-2-1-5-11-9(6)12-7/h1-5H
InChIKeyJDPVTLXKRNPCDC-UHFFFAOYSA-N
XLogP2.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-1,8-naphthyridine-2-carboxamide
CID 177046765
N'-methyl-1,8-naphthyridine-2-carboximidamide
CID 172623123
N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide
CID 177046941
N-(4-ethoxyphenyl)-1,8-naphthyridine-2-carboxamide
CID 177046964
N-cyclohexyl-N-methyl-1,8-naphthyridine-2-carboxamide
CID 70289942
N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide
CID 16728138
2-(1,8-naphthyridin-2-yl)acetamide
CID 66510813
coronene;1,8-naphthyridine
CID 87840875
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-(1,8-naphthyridin-2-yl)methanone
CID 56866391
CID 177047265
CID 177047265
CID 177046981
CID 177046981
N-cyclopropyl-N-(1-cyclopropylethyl)-1,8-naphthyridine-2-carboxamide
CID 126838589

Frequently Asked Questions

What is the IUPAC name of 1,8-naphthyridine-2-carbonyl chloride?
The IUPAC name of 1,8-naphthyridine-2-carbonyl chloride (CID 129321879) is 1,8-naphthyridine-2-carbonyl chloride.
What is the SMILES notation for 1,8-naphthyridine-2-carbonyl chloride?
The canonical SMILES for 1,8-naphthyridine-2-carbonyl chloride is O=C(Cl)c1ccc2cccnc2n1.
What is the InChIKey of 1,8-naphthyridine-2-carbonyl chloride?
The InChIKey is JDPVTLXKRNPCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O/c10-8(13)7-4-3-6-2-1-5-11-9(6)12-7/h1-5H.
What are the key properties of 1,8-naphthyridine-2-carbonyl chloride?
1,8-naphthyridine-2-carbonyl chloride has a molecular weight of 192.61 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-naphthyridine-2-carbonyl chloride is sourced from PubChem (CID 129321879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).