4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid

C21H16N2O4 — CID 127018509

IUPAC4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid
SMILESO=C(Nc1ccncc1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H16N2O4/c24-20(25)17-11-22-10-9-19(17)23-21(26)27-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-11,18H,12H2,(H,24,25)(H,22,23,26)
InChIKeyRHCREQOBYMYMCR-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.14
Rot. Bonds4

About 4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid

4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid (PubChem CID 127018509) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid
PubChem CID127018509
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid
SMILESO=C(Nc1ccncc1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H16N2O4/c24-20(25)17-11-22-10-9-19(17)23-21(26)27-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-11,18H,12H2,(H,24,25)(H,22,23,26)
InChIKeyRHCREQOBYMYMCR-UHFFFAOYSA-N
XLogP4.14
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 10873832
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbenzoic acid
CID 22569039
2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate
CID 6958000
4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(methylamino)benzoic acid
CID 142685185
acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate
CID 66925363
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid
CID 46737340
3,5-dichloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 63404936
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybenzoic acid
CID 22569049
4-(diethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 165492389
9H-fluoren-9-ylmethyl N-(2,4,5-trimethylphenyl)carbamate
CID 143777566
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
CID 141445074
2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]benzoic acid
CID 165486133

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid (CID 127018509) is 4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid is O=C(Nc1ccncc1C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid?
The InChIKey is RHCREQOBYMYMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-20(25)17-11-22-10-9-19(17)23-21(26)27-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-11,18H,12H2,(H,24,25)(H,22,23,26).
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid?
4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 127018509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).