(2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone

C12H9F2N3O — CID 5330840

IUPAC(2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone
SMILESNc1ccc(C(=O)c2c(F)cccc2F)c(N)n1
InChIInChI=1S/C12H9F2N3O/c13-7-2-1-3-8(14)10(7)11(18)6-4-5-9(15)17-12(6)16/h1-5H,(H4,15,16,17)
InChIKeyHLBQAUFYAHXRJC-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.76
Rot. Bonds2

About (2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone

(2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone (PubChem CID 5330840) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is (2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone
PubChem CID5330840
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC Name(2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone
SMILESNc1ccc(C(=O)c2c(F)cccc2F)c(N)n1
InChIInChI=1S/C12H9F2N3O/c13-7-2-1-3-8(14)10(7)11(18)6-4-5-9(15)17-12(6)16/h1-5H,(H4,15,16,17)
InChIKeyHLBQAUFYAHXRJC-UHFFFAOYSA-N
XLogP1.76
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Vx-702
CID 10341154
7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
3-Acyl-2,6-diaminopyridine deriv. 2c
CID 5330817
3-Acyl-2,6-diaminopyridine deriv. 2l
CID 5330826
3-Acyl-2,6-diaminopyridine deriv. 2m
CID 5330827
1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-
CID 13155595
3-Acyl-2,6-diaminopyridine deriv. 2b
CID 5330816
3-Acyl-2,6-diaminopyridine deriv. 2k
CID 5330825
3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828
3-Acyl-2,6-diaminopyridine deriv. 3b
CID 5330841
(2,6-Diaminopyridin-3-yl)(phenyl)methanone
CID 5330842
7-Amino-2-phenyl-[1,8]naphthyridin-4-ol
CID 14686958

Frequently Asked Questions

What is the IUPAC name of (2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone?
The IUPAC name of (2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone (CID 5330840) is (2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for (2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone?
The canonical SMILES for (2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone is Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1.
What is the InChIKey of (2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone?
The InChIKey is HLBQAUFYAHXRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c13-7-2-1-3-8(14)10(7)11(18)6-4-5-9(15)17-12(6)16/h1-5H,(H4,15,16,17).
What are the key properties of (2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone?
(2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone has a molecular weight of 249.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diamino-3-pyridinyl)-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 5330840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).