(3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone

C9H7FN4O — CID 130529576

IUPAC(3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone
SMILESCn1ncnc1C(=O)c1ccncc1F
InChIInChI=1S/C9H7FN4O/c1-14-9(12-5-13-14)8(15)6-2-3-11-4-7(6)10/h2-5H,1H3
InChIKeyOLXNKGHSQZWCLM-UHFFFAOYSA-N
MW206.18 g/mol
LogP0.58
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone

(3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 130529576) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID130529576
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC Name(3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone
SMILESCn1ncnc1C(=O)c1ccncc1F
InChIInChI=1S/C9H7FN4O/c1-14-9(12-5-13-14)8(15)6-2-3-11-4-7(6)10/h2-5H,1H3
InChIKeyOLXNKGHSQZWCLM-UHFFFAOYSA-N
XLogP0.58
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105129319
(3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
CID 106754774
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone
CID 114641961
(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641960
3-fluoro-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 125441790
(5-bromofuran-3-yl)-(3-fluoro-4-pyridinyl)methanone
CID 130643801
methyl 2-(3-fluoro-4-pyridinyl)-2-oxoacetate
CID 146160461
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-fluoropyridine-4-carboxamide
CID 79500482
(3-fluoro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782609
(5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
CID 104737850
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone (CID 130529576) is (3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone is Cn1ncnc1C(=O)c1ccncc1F.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is OLXNKGHSQZWCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O/c1-14-9(12-5-13-14)8(15)6-2-3-11-4-7(6)10/h2-5H,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone?
(3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 206.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 130529576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).