(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C14H12FN3O — CID 103502157

IUPAC(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESNc1ccnc(C(=O)N2CCc3ccc(F)cc32)c1
InChIInChI=1S/C14H12FN3O/c15-10-2-1-9-4-6-18(13(9)7-10)14(19)12-8-11(16)3-5-17-12/h1-3,5,7-8H,4,6H2,(H2,16,17)
InChIKeyQMVHNBLVHSOXAY-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.01
Rot. Bonds1

About (4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 103502157) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is (4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID103502157
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESNc1ccnc(C(=O)N2CCc3ccc(F)cc32)c1
InChIInChI=1S/C14H12FN3O/c15-10-2-1-9-4-6-18(13(9)7-10)14(19)12-8-11(16)3-5-17-12/h1-3,5,7-8H,4,6H2,(H2,16,17)
InChIKeyQMVHNBLVHSOXAY-UHFFFAOYSA-N
XLogP2.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(3-amino-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502191
(4-chloro-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103872831
(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103718991
(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493823
(3-chloro-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103714816
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 62266898
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
(6-fluoro-2,3-dihydroindol-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 103502364
(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493768
2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103493820

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 103502157) is (4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is Nc1ccnc(C(=O)N2CCc3ccc(F)cc32)c1.
What is the InChIKey of (4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is QMVHNBLVHSOXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-10-2-1-9-4-6-18(13(9)7-10)14(19)12-8-11(16)3-5-17-12/h1-3,5,7-8H,4,6H2,(H2,16,17).
What are the key properties of (4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 257.27 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 103502157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).