5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine

C33H30F3N3O3 — CID 161307659

IUPAC5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine
SMILESNc1c(C(c2ccccn2)C(F)(F)F)ccc2c1Cc1ccccc1-2.O=C(O)c1cc(OCC2CC2)c(C2CC2)cn1
InChIInChI=1S/C20H15F3N2.C13H15NO3/c21-20(22,23)18(17-7-3-4-10-25-17)15-9-8-14-13-6-2-1-5-12(13)11-16(14)19(15)24;15-13(16)11-5-12(17-7-8-1-2-8)10(6-14-11)9-3-4-9/h1-10,18H,11,24H2;5-6,8-9H,1-4,7H2,(H,15,16)
InChIKeyVILWKYXINOFVAF-UHFFFAOYSA-N
MW573.62 g/mol
LogP7.38
Rot. Bonds7

About 5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine

5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine (PubChem CID 161307659) has the molecular formula C33H30F3N3O3 and a molecular weight of 573.62 g/mol. Its IUPAC name is 5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine.

Molecular Properties

Compound Name5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine
PubChem CID161307659
Molecular FormulaC33H30F3N3O3
Molecular Weight573.62 g/mol
Exact Mass573.22
IUPAC Name5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine
SMILESNc1c(C(c2ccccn2)C(F)(F)F)ccc2c1Cc1ccccc1-2.O=C(O)c1cc(OCC2CC2)c(C2CC2)cn1
InChIInChI=1S/C20H15F3N2.C13H15NO3/c21-20(22,23)18(17-7-3-4-10-25-17)15-9-8-14-13-6-2-1-5-12(13)11-16(14)19(15)24;15-13(16)11-5-12(17-7-8-1-2-8)10(6-14-11)9-3-4-9/h1-10,18H,11,24H2;5-6,8-9H,1-4,7H2,(H,15,16)
InChIKeyVILWKYXINOFVAF-UHFFFAOYSA-N
XLogP7.38
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.62
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine?
The IUPAC name of 5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine (CID 161307659) is 5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine.
What is the SMILES notation for 5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine?
The canonical SMILES for 5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine is Nc1c(C(c2ccccn2)C(F)(F)F)ccc2c1Cc1ccccc1-2.O=C(O)c1cc(OCC2CC2)c(C2CC2)cn1.
What is the InChIKey of 5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine?
The InChIKey is VILWKYXINOFVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2.C13H15NO3/c21-20(22,23)18(17-7-3-4-10-25-17)15-9-8-14-13-6-2-1-5-12(13)11-16(14)19(15)24;15-13(16)11-5-12(17-7-8-1-2-8)10(6-14-11)9-3-4-9/h1-10,18H,11,24H2;5-6,8-9H,1-4,7H2,(H,15,16).
What are the key properties of 5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine?
5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine has a molecular weight of 573.62 g/mol, XLogP of 7.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-(2,2,2-trifluoro-1-pyridin-2-ylethyl)-9H-fluoren-1-amine is sourced from PubChem (CID 161307659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).