(Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid

C22H21NO2 — CID 13285830

IUPAC(Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C(\c1cccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H21NO2/c24-22(25)11-3-1-2-10-21(20-9-6-14-23-16-20)19-13-12-17-7-4-5-8-18(17)15-19/h4-10,12-16H,1-3,11H2,(H,24,25)/b21-10-
InChIKeySEQKJPMEJZPHPM-FBHDLOMBSA-N
MW331.42 g/mol
LogP5.31
Rot. Bonds7

About (Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid

(Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid (PubChem CID 13285830) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid.

Molecular Properties

Compound Name(Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid
PubChem CID13285830
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid
SMILESO=C(O)CCCC/C=C(\c1cccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H21NO2/c24-22(25)11-3-1-2-10-21(20-9-6-14-23-16-20)19-13-12-17-7-4-5-8-18(17)15-19/h4-10,12-16H,1-3,11H2,(H,24,25)/b21-10-
InChIKeySEQKJPMEJZPHPM-FBHDLOMBSA-N
XLogP5.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid?
The IUPAC name of (Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid (CID 13285830) is (Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid.
What is the SMILES notation for (Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid?
The canonical SMILES for (Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid is O=C(O)CCCC/C=C(\c1cccnc1)c1ccc2ccccc2c1.
What is the InChIKey of (Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid?
The InChIKey is SEQKJPMEJZPHPM-FBHDLOMBSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(25)11-3-1-2-10-21(20-9-6-14-23-16-20)19-13-12-17-7-4-5-8-18(17)15-19/h4-10,12-16H,1-3,11H2,(H,24,25)/b21-10-.
What are the key properties of (Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid?
(Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid has a molecular weight of 331.42 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-naphthalen-2-yl-7-pyridin-3-ylhept-6-enoic acid is sourced from PubChem (CID 13285830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).