(5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone

C9H7BrN4O — CID 130602508

IUPAC(5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone
SMILESCn1ncc(C(=O)c2ccc(Br)cn2)n1
InChIInChI=1S/C9H7BrN4O/c1-14-12-5-8(13-14)9(15)7-3-2-6(10)4-11-7/h2-5H,1H3
InChIKeyKHMQLROXEKYQRP-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.20
Rot. Bonds2

About (5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone

(5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone (PubChem CID 130602508) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone
PubChem CID130602508
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name(5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone
SMILESCn1ncc(C(=O)c2ccc(Br)cn2)n1
InChIInChI=1S/C9H7BrN4O/c1-14-12-5-8(13-14)9(15)7-3-2-6(10)4-11-7/h2-5H,1H3
InChIKeyKHMQLROXEKYQRP-UHFFFAOYSA-N
XLogP1.20
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one
CID 164562677
(5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone
CID 130988850
N-hydroxy-2-methyltriazole-4-carboxamide
CID 137244792
furan-3-yl-(2-methyltriazol-4-yl)methanone
CID 130521392
(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone
CID 86696896
5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 62998781
methyl 5-bromopyridine-2-carboxylate
CID 7016458
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
(2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone
CID 130521494
5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 62954369
(1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone
CID 130603525

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone (CID 130602508) is (5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone is Cn1ncc(C(=O)c2ccc(Br)cn2)n1.
What is the InChIKey of (5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone?
The InChIKey is KHMQLROXEKYQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c1-14-12-5-8(13-14)9(15)7-3-2-6(10)4-11-7/h2-5H,1H3.
What are the key properties of (5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone?
(5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone has a molecular weight of 267.09 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(2-methyltriazol-4-yl)methanone is sourced from PubChem (CID 130602508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).