5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine

C30H25ClF3N3O3 — CID 158512384

IUPAC5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine
SMILESNc1c([C@@H](c2cccnc2)C(F)(F)F)ccc2c1Cc1ccccc1-2.O=C(O)c1cc(OCC2CC2)c(Cl)cn1
InChIInChI=1S/C20H15F3N2.C10H10ClNO3/c21-20(22,23)18(13-5-3-9-25-11-13)16-8-7-15-14-6-2-1-4-12(14)10-17(15)19(16)24;11-7-4-12-8(10(13)14)3-9(7)15-5-6-1-2-6/h1-9,11,18H,10,24H2;3-4,6H,1-2,5H2,(H,13,14)/t18-;/m1./s1
InChIKeyHLFIWLQUCAJHQV-GMUIIQOCSA-N
MW568.00 g/mol
LogP7.15
Rot. Bonds6

About 5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine

5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine (PubChem CID 158512384) has the molecular formula C30H25ClF3N3O3 and a molecular weight of 568.00 g/mol. Its IUPAC name is 5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine.

Molecular Properties

Compound Name5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine
PubChem CID158512384
Molecular FormulaC30H25ClF3N3O3
Molecular Weight568.00 g/mol
Exact Mass567.15
IUPAC Name5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine
SMILESNc1c([C@@H](c2cccnc2)C(F)(F)F)ccc2c1Cc1ccccc1-2.O=C(O)c1cc(OCC2CC2)c(Cl)cn1
InChIInChI=1S/C20H15F3N2.C10H10ClNO3/c21-20(22,23)18(13-5-3-9-25-11-13)16-8-7-15-14-6-2-1-4-12(14)10-17(15)19(16)24;11-7-4-12-8(10(13)14)3-9(7)15-5-6-1-2-6/h1-9,11,18H,10,24H2;3-4,6H,1-2,5H2,(H,13,14)/t18-;/m1./s1
InChIKeyHLFIWLQUCAJHQV-GMUIIQOCSA-N
XLogP7.15
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.00
LogP ≤ 57.15
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-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine?
The IUPAC name of 5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine (CID 158512384) is 5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine.
What is the SMILES notation for 5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine?
The canonical SMILES for 5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine is Nc1c([C@@H](c2cccnc2)C(F)(F)F)ccc2c1Cc1ccccc1-2.O=C(O)c1cc(OCC2CC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine?
The InChIKey is HLFIWLQUCAJHQV-GMUIIQOCSA-N. The full InChI is InChI=1S/C20H15F3N2.C10H10ClNO3/c21-20(22,23)18(13-5-3-9-25-11-13)16-8-7-15-14-6-2-1-4-12(14)10-17(15)19(16)24;11-7-4-12-8(10(13)14)3-9(7)15-5-6-1-2-6/h1-9,11,18H,10,24H2;3-4,6H,1-2,5H2,(H,13,14)/t18-;/m1./s1.
What are the key properties of 5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine?
5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine has a molecular weight of 568.00 g/mol, XLogP of 7.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxylic acid;2-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-9H-fluoren-1-amine is sourced from PubChem (CID 158512384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).