(4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C12H13FN2O — CID 114407102

IUPAC(4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CC=CCC2)cc1F
InChIInChI=1S/C12H13FN2O/c13-10-8-9(4-5-11(10)14)12(16)15-6-2-1-3-7-15/h1-2,4-5,8H,3,6-7,14H2
InChIKeyXGFAGKRHCOCSFV-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.81
Rot. Bonds1

About (4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

(4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114407102) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114407102
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name(4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CC=CCC2)cc1F
InChIInChI=1S/C12H13FN2O/c13-10-8-9(4-5-11(10)14)12(16)15-6-2-1-3-7-15/h1-2,4-5,8H,3,6-7,14H2
InChIKeyXGFAGKRHCOCSFV-UHFFFAOYSA-N
XLogP1.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone
CID 141178396
(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895188
(6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115969934
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
CID 62678681
(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 141178418
(2,6-difluoro-4-phenylphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 176579757
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 114412276
(3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407063
1-(4-amino-3-fluorobenzoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981522
1-(4-amino-3-fluorobenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63188937
(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
CID 39245269

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114407102) is (4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is Nc1ccc(C(=O)N2CC=CCC2)cc1F.
What is the InChIKey of (4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is XGFAGKRHCOCSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-10-8-9(4-5-11(10)14)12(16)15-6-2-1-3-7-15/h1-2,4-5,8H,3,6-7,14H2.
What are the key properties of (4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 220.25 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114407102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).