2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid

C22H18N2O4 — CID 138007114

IUPAC2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid
SMILESO=C(NCc1ncccc1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H18N2O4/c25-21(26)18-10-5-11-23-20(18)12-24-22(27)28-13-19-16-8-3-1-6-14(16)15-7-2-4-9-17(15)19/h1-11,19H,12-13H2,(H,24,27)(H,25,26)
InChIKeyBHRGFWIMTUIHOT-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.82
Rot. Bonds5

About 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid

2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid (PubChem CID 138007114) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid
PubChem CID138007114
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid
SMILESO=C(NCc1ncccc1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H18N2O4/c25-21(26)18-10-5-11-23-20(18)12-24-22(27)28-13-19-16-8-3-1-6-14(16)15-7-2-4-9-17(15)19/h1-11,19H,12-13H2,(H,24,27)(H,25,26)
InChIKeyBHRGFWIMTUIHOT-UHFFFAOYSA-N
XLogP3.82
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid (CID 138007114) is 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid is O=C(NCc1ncccc1C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid?
The InChIKey is BHRGFWIMTUIHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-21(26)18-10-5-11-23-20(18)12-24-22(27)28-13-19-16-8-3-1-6-14(16)15-7-2-4-9-17(15)19/h1-11,19H,12-13H2,(H,24,27)(H,25,26).
What are the key properties of 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid?
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid has a molecular weight of 374.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 138007114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).