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

C12H10FN3O — CID 5330841

IUPAC(2,6-diamino-3-pyridinyl)-(2-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccccc2F)c(N)n1
InChIInChI=1S/C12H10FN3O/c13-9-4-2-1-3-7(9)11(17)8-5-6-10(14)16-12(8)15/h1-6H,(H4,14,15,16)
InChIKeyBIMMWHUUYFSZAE-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.62
Rot. Bonds2

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

(2,6-diamino-3-pyridinyl)-(2-fluorophenyl)methanone (PubChem CID 5330841) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is (2,6-diamino-3-pyridinyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2,6-diamino-3-pyridinyl)-(2-fluorophenyl)methanone
PubChem CID5330841
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name(2,6-diamino-3-pyridinyl)-(2-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccccc2F)c(N)n1
InChIInChI=1S/C12H10FN3O/c13-9-4-2-1-3-7(9)11(17)8-5-6-10(14)16-12(8)15/h1-6H,(H4,14,15,16)
InChIKeyBIMMWHUUYFSZAE-UHFFFAOYSA-N
XLogP1.62
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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. 3a
CID 5330840
(2,6-Diaminopyridin-3-yl)(phenyl)methanone
CID 5330842
7-Amino-2-phenyl-[1,8]naphthyridin-4-ol
CID 14686958
2-Phenyl-7-methyl-1,8-naphthyridine-4-ol
CID 5467768

Frequently Asked Questions

What is the IUPAC name of (2,6-diamino-3-pyridinyl)-(2-fluorophenyl)methanone?
The IUPAC name of (2,6-diamino-3-pyridinyl)-(2-fluorophenyl)methanone (CID 5330841) is (2,6-diamino-3-pyridinyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (2,6-diamino-3-pyridinyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (2,6-diamino-3-pyridinyl)-(2-fluorophenyl)methanone is Nc1ccc(C(=O)c2ccccc2F)c(N)n1.
What is the InChIKey of (2,6-diamino-3-pyridinyl)-(2-fluorophenyl)methanone?
The InChIKey is BIMMWHUUYFSZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c13-9-4-2-1-3-7(9)11(17)8-5-6-10(14)16-12(8)15/h1-6H,(H4,14,15,16).
What are the key properties of (2,6-diamino-3-pyridinyl)-(2-fluorophenyl)methanone?
(2,6-diamino-3-pyridinyl)-(2-fluorophenyl)methanone has a molecular weight of 231.23 g/mol, XLogP of 1.62, 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-fluorophenyl)methanone is sourced from PubChem (CID 5330841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).