2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid

C24H19ClN2O4 — CID 169469960

IUPAC2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid
SMILESO=C(NCC=Cc1cnc(Cl)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19ClN2O4/c25-22-12-20(23(28)29)15(13-27-22)6-5-11-26-24(30)31-14-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-10,12-13,21H,11,14H2,(H,26,30)(H,28,29)
InChIKeyRJJPZKSWKCYJSJ-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.99
Rot. Bonds6

About 2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid

2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid (PubChem CID 169469960) has the molecular formula C24H19ClN2O4 and a molecular weight of 434.88 g/mol. Its IUPAC name is 2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid
PubChem CID169469960
Molecular FormulaC24H19ClN2O4
Molecular Weight434.88 g/mol
Exact Mass434.10
IUPAC Name2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid
SMILESO=C(NCC=Cc1cnc(Cl)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19ClN2O4/c25-22-12-20(23(28)29)15(13-27-22)6-5-11-26-24(30)31-14-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-10,12-13,21H,11,14H2,(H,26,30)(H,28,29)
InChIKeyRJJPZKSWKCYJSJ-UHFFFAOYSA-N
XLogP4.99
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-pyridinyl)prop-2-enyl]carbamate
CID 169470633
9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate
CID 169470634
2-amino-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylic acid
CID 169469902
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-5-fluorobenzoic acid
CID 169469811
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469280
4-chloro-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169469792
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2,4-dihydroxybenzoic acid
CID 169470064
9H-fluoren-9-ylmethyl N-[3-(3-amino-6-chloropyridazin-4-yl)prop-2-enyl]carbamate
CID 169469327
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1H-pyrazole-5-carboxylic acid
CID 169469212
9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate
CID 169469598
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-nitro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469901

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid (CID 169469960) is 2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid is O=C(NCC=Cc1cnc(Cl)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid?
The InChIKey is RJJPZKSWKCYJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O4/c25-22-12-20(23(28)29)15(13-27-22)6-5-11-26-24(30)31-14-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-10,12-13,21H,11,14H2,(H,26,30)(H,28,29).
What are the key properties of 2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid?
2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid has a molecular weight of 434.88 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 169469960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).