6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid

C21H16N2O4 — CID 141092800

IUPAC6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid
SMILESNc1ccc(C(=O)O)c(C(=O)OCC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C21H16N2O4/c22-18-10-9-16(20(24)25)19(23-18)21(26)27-11-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-10,17H,11H2,(H2,22,23)(H,24,25)
InChIKeyBRMXVBWZMYLZMJ-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.33
Rot. Bonds4

About 6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid

6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid (PubChem CID 141092800) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid
PubChem CID141092800
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid
SMILESNc1ccc(C(=O)O)c(C(=O)OCC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C21H16N2O4/c22-18-10-9-16(20(24)25)19(23-18)21(26)27-11-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-10,17H,11H2,(H2,22,23)(H,24,25)
InChIKeyBRMXVBWZMYLZMJ-UHFFFAOYSA-N
XLogP3.33
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-5-iodobenzoic acid
CID 56923965
2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid
CID 56923983
2-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-4,5-dimethoxybenzoic acid
CID 56923969
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
2-amino-3-chloro-4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid
CID 67019869
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid
CID 127018509
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid
CID 164579750

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid (CID 141092800) is 6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid is Nc1ccc(C(=O)O)c(C(=O)OCC2c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid?
The InChIKey is BRMXVBWZMYLZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c22-18-10-9-16(20(24)25)19(23-18)21(26)27-11-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-10,17H,11H2,(H2,22,23)(H,24,25).
What are the key properties of 6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid?
6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 141092800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).