(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid

C10H9NO2 — CID 144503765

IUPAC(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid
SMILESC=C/C=c1/c(C(=O)O)cncc1=C
InChIInChI=1S/C10H9NO2/c1-3-4-8-7(2)5-11-6-9(8)10(12)13/h3-6H,1-2H2,(H,12,13)/b8-4+
InChIKeyBDSROVOEIRHLKG-XBXARRHUSA-N
MW175.19 g/mol
LogP0.16
Rot. Bonds2

About (4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid

(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid (PubChem CID 144503765) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is (4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid.

Molecular Properties

Compound Name(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid
PubChem CID144503765
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid
SMILESC=C/C=c1/c(C(=O)O)cncc1=C
InChIInChI=1S/C10H9NO2/c1-3-4-8-7(2)5-11-6-9(8)10(12)13/h3-6H,1-2H2,(H,12,13)/b8-4+
InChIKeyBDSROVOEIRHLKG-XBXARRHUSA-N
XLogP0.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopenta[b]pyrrole-3-carboxylic acid
CID 69870816
6H-2-benzazepine-7-carboxylic acid
CID 87594309
7H-indeno[2,1-c]pyridine-4-carboxylic acid
CID 87879625
Cyclohepta[f]indole-3-carboxylic acid
CID 118865250
Cyclohepta[f]indole-3-carboxylic acid;hydrochloride
CID 118865263
4H-cyclohepta[b]pyridine-3-carboxylic acid
CID 141366439
ethane;(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid
CID 144503764
Pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid;hydrochloride
CID 144545399
Pyrrolo[3,2-h][1]benzazepine-3-carboxylic acid
CID 144545400
(Z,2E)-2-[(propylideneamino)methylidene]pent-3-enoic acid
CID 146352416
9H-2-benzazepine-8-carboxylic acid
CID 151078131
Cyclopenta[f]indole-3-carboxylic acid
CID 158476587

Frequently Asked Questions

What is the IUPAC name of (4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid?
The IUPAC name of (4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid (CID 144503765) is (4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid.
What is the SMILES notation for (4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid?
The canonical SMILES for (4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid is C=C/C=c1/c(C(=O)O)cncc1=C.
What is the InChIKey of (4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid?
The InChIKey is BDSROVOEIRHLKG-XBXARRHUSA-N. The full InChI is InChI=1S/C10H9NO2/c1-3-4-8-7(2)5-11-6-9(8)10(12)13/h3-6H,1-2H2,(H,12,13)/b8-4+.
What are the key properties of (4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid?
(4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid has a molecular weight of 175.19 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methylidene-4-prop-2-enylidenepyridine-3-carboxylic acid is sourced from PubChem (CID 144503765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).