4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid

C16H12N2O2 — CID 91583170

IUPAC4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnccc1Cc1cccc2ccccc12
InChIInChI=1S/C16H12N2O2/c19-16(20)15-13(8-9-17-18-15)10-12-6-3-5-11-4-1-2-7-14(11)12/h1-9H,10H2,(H,19,20)
InChIKeyZCLACZVWULYXLA-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.92
Rot. Bonds3

About 4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid

4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid (PubChem CID 91583170) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid
PubChem CID91583170
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnccc1Cc1cccc2ccccc12
InChIInChI=1S/C16H12N2O2/c19-16(20)15-13(8-9-17-18-15)10-12-6-3-5-11-4-1-2-7-14(11)12/h1-9H,10H2,(H,19,20)
InChIKeyZCLACZVWULYXLA-UHFFFAOYSA-N
XLogP2.92
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 66760372
CID 66760372
3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid
CID 139483442
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CID 112619454
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
4-fluoropyridazine-3-carboxylic acid
CID 118989539
3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid
CID 62711505
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
naphthalen-1-ylmethyl pyridazine-3-carboxylate
CID 154460652
4-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 140674287

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid?
The IUPAC name of 4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid (CID 91583170) is 4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid is O=C(O)c1nnccc1Cc1cccc2ccccc12.
What is the InChIKey of 4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid?
The InChIKey is ZCLACZVWULYXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(20)15-13(8-9-17-18-15)10-12-6-3-5-11-4-1-2-7-14(11)12/h1-9H,10H2,(H,19,20).
What are the key properties of 4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid?
4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 91583170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).