4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde

C12H12ClN3O2 — CID 139636127

IUPAC4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde
SMILESCCCn1c(=NO)c(C=O)c(Cl)c2cccnc21
InChIInChI=1S/C12H12ClN3O2/c1-2-6-16-11-8(4-3-5-14-11)10(13)9(7-17)12(16)15-18/h3-5,7,18H,2,6H2,1H3
InChIKeyZABZUILPVJWSHZ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.20
Rot. Bonds3

About 4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde

4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde (PubChem CID 139636127) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde
PubChem CID139636127
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde
SMILESCCCn1c(=NO)c(C=O)c(Cl)c2cccnc21
InChIInChI=1S/C12H12ClN3O2/c1-2-6-16-11-8(4-3-5-14-11)10(13)9(7-17)12(16)15-18/h3-5,7,18H,2,6H2,1H3
InChIKeyZABZUILPVJWSHZ-UHFFFAOYSA-N
XLogP2.20
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 84670724
4-phenyl-1-propyl-1,8-naphthyridin-2-one
CID 18969191
7-phenyl-6-propyl-1,6-naphthyridin-5-one
CID 15720869
1-(2-propylsulfonylethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 106716449
10-methyl-6-propylpyrido[3,2-c][1,6]naphthyridin-5-one
CID 101205318
1-butyl-2-methyl-1,8-naphthyridin-4-one
CID 150875994
1-[(E)-1-ethynyliminobut-2-en-2-yl]-2-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 143014628
N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]ethanesulfonamide
CID 156599914
9-butyl-4-chloro-2-methylpyrido[2,3-b]indole-3-carbaldehyde
CID 135059748
2-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 59754755
3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine
CID 146162317
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde?
The IUPAC name of 4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde (CID 139636127) is 4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde.
What is the SMILES notation for 4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde?
The canonical SMILES for 4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde is CCCn1c(=NO)c(C=O)c(Cl)c2cccnc21.
What is the InChIKey of 4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde?
The InChIKey is ZABZUILPVJWSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-2-6-16-11-8(4-3-5-14-11)10(13)9(7-17)12(16)15-18/h3-5,7,18H,2,6H2,1H3.
What are the key properties of 4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde?
4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde has a molecular weight of 265.70 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxyimino-1-propyl-1,8-naphthyridine-3-carbaldehyde is sourced from PubChem (CID 139636127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).