3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C11H9ClF3N5O — CID 138023481

IUPAC3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCn1ncc(CNC(=O)c2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H9ClF3N5O/c1-20-18-5-7(19-20)4-17-10(21)9-8(12)2-6(3-16-9)11(13,14)15/h2-3,5H,4H2,1H3,(H,17,21)
InChIKeyBBNCWYLWNXJQRW-UHFFFAOYSA-N
MW319.67 g/mol
LogP1.81
Rot. Bonds3

About 3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 138023481) has the molecular formula C11H9ClF3N5O and a molecular weight of 319.67 g/mol. Its IUPAC name is 3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID138023481
Molecular FormulaC11H9ClF3N5O
Molecular Weight319.67 g/mol
Exact Mass319.04
IUPAC Name3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCn1ncc(CNC(=O)c2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H9ClF3N5O/c1-20-18-5-7(19-20)4-17-10(21)9-8(12)2-6(3-16-9)11(13,14)15/h2-3,5H,4H2,1H3,(H,17,21)
InChIKeyBBNCWYLWNXJQRW-UHFFFAOYSA-N
XLogP1.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-amino-3-pyridinyl)methyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166319423
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138026736
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 22027356
3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 2779745
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1491777
2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide
CID 10139692
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxybut-3-en-2-one
CID 7075350
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 110208713
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 22027361
3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 167759690

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 138023481) is 3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide is Cn1ncc(CNC(=O)c2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BBNCWYLWNXJQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5O/c1-20-18-5-7(19-20)4-17-10(21)9-8(12)2-6(3-16-9)11(13,14)15/h2-3,5H,4H2,1H3,(H,17,21).
What are the key properties of 3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 319.67 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 138023481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).