(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

C16H15FN2O — CID 115497823

IUPAC(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESO=C(c1cccc(F)n1)N1CCCc2ccccc2C1
InChIInChI=1S/C16H15FN2O/c17-15-9-3-8-14(18-15)16(20)19-10-4-7-12-5-1-2-6-13(12)11-19/h1-3,5-6,8-9H,4,7,10-11H2
InChIKeyRDWHHVBHPCDSSL-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.81
Rot. Bonds1

About (6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone

(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (PubChem CID 115497823) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
PubChem CID115497823
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
SMILESO=C(c1cccc(F)n1)N1CCCc2ccccc2C1
InChIInChI=1S/C16H15FN2O/c17-15-9-3-8-14(18-15)16(20)19-10-4-7-12-5-1-2-6-13(12)11-19/h1-3,5-6,8-9H,4,7,10-11H2
InChIKeyRDWHHVBHPCDSSL-UHFFFAOYSA-N
XLogP2.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7,8-dihydro-5H-1,6-naphthyridin-6-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323469
(6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63980528
(2-fluoro-6-hydroxyphenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 104917485
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 62248838
3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 84570258
(1,1-dioxo-1,4-thiazepan-4-yl)-(6-fluoro-2-pyridinyl)methanone
CID 113342783
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
CID 115496615
(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115496980
(2-hydroxyphenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63153618
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115498100
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109097816

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The IUPAC name of (6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone (CID 115497823) is (6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone.
What is the SMILES notation for (6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The canonical SMILES for (6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is O=C(c1cccc(F)n1)N1CCCc2ccccc2C1.
What is the InChIKey of (6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
The InChIKey is RDWHHVBHPCDSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-15-9-3-8-14(18-15)16(20)19-10-4-7-12-5-1-2-6-13(12)11-19/h1-3,5-6,8-9H,4,7,10-11H2.
What are the key properties of (6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone?
(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone has a molecular weight of 270.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone is sourced from PubChem (CID 115497823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).