(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone

C12H10N2O — CID 106754556

IUPAC(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
SMILESCc1cc(C(=O)c2cccnc2)ccn1
InChIInChI=1S/C12H10N2O/c1-9-7-10(4-6-14-9)12(15)11-3-2-5-13-8-11/h2-8H,1H3
InChIKeyNUTPQOLASDAKPA-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.02
Rot. Bonds2

About (2-methyl-4-pyridinyl)-pyridin-3-ylmethanone

(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone (PubChem CID 106754556) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is (2-methyl-4-pyridinyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
PubChem CID106754556
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
SMILESCc1cc(C(=O)c2cccnc2)ccn1
InChIInChI=1S/C12H10N2O/c1-9-7-10(4-6-14-9)12(15)11-3-2-5-13-8-11/h2-8H,1H3
InChIKeyNUTPQOLASDAKPA-UHFFFAOYSA-N
XLogP2.02
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-pyridinyl)-phenylmethanone
CID 12913274
(3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
CID 106754774
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
CID 105081243
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
[3-(methylamino)phenyl]-pyridin-3-ylmethanone
CID 116917352
(2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone
CID 105081218
2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
CID 24839706
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
CID 122689009
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
(4-chloro-3-iodophenyl)-pyridin-3-ylmethanone
CID 134638287
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-pyridinyl)-pyridin-3-ylmethanone?
The IUPAC name of (2-methyl-4-pyridinyl)-pyridin-3-ylmethanone (CID 106754556) is (2-methyl-4-pyridinyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2-methyl-4-pyridinyl)-pyridin-3-ylmethanone?
The canonical SMILES for (2-methyl-4-pyridinyl)-pyridin-3-ylmethanone is Cc1cc(C(=O)c2cccnc2)ccn1.
What is the InChIKey of (2-methyl-4-pyridinyl)-pyridin-3-ylmethanone?
The InChIKey is NUTPQOLASDAKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-9-7-10(4-6-14-9)12(15)11-3-2-5-13-8-11/h2-8H,1H3.
What are the key properties of (2-methyl-4-pyridinyl)-pyridin-3-ylmethanone?
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone has a molecular weight of 198.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-pyridinyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 106754556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).