5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

C14H11ClN4O2 — CID 63311794

IUPAC5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESO=[N+]([O-])c1ccc(Cl)cc1NCc1cnn2ccccc12
InChIInChI=1S/C14H11ClN4O2/c15-11-4-5-14(19(20)21)12(7-11)16-8-10-9-17-18-6-2-1-3-13(10)18/h1-7,9,16H,8H2
InChIKeyKBPKCGMLMUJGDG-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.51
Rot. Bonds4

About 5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (PubChem CID 63311794) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
PubChem CID63311794
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESO=[N+]([O-])c1ccc(Cl)cc1NCc1cnn2ccccc12
InChIInChI=1S/C14H11ClN4O2/c15-11-4-5-14(19(20)21)12(7-11)16-8-10-9-17-18-6-2-1-3-13(10)18/h1-7,9,16H,8H2
InChIKeyKBPKCGMLMUJGDG-UHFFFAOYSA-N
XLogP3.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311796
2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 81270312
2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311845
N-[(2-aminophenyl)methyl]-5-chloro-2-nitroaniline
CID 66386269
5-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-2-nitroaniline
CID 114841688
2-ethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63312135
4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid
CID 63312195
5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-nitroaniline
CID 63429420
5-chloro-N-[(1-ethylimidazol-2-yl)methyl]-2-nitroaniline
CID 55064819
2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 83077478
5-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-nitroaniline
CID 63429548
2-[2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)phenyl]acetamide
CID 63315386

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The IUPAC name of 5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (CID 63311794) is 5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is O=[N+]([O-])c1ccc(Cl)cc1NCc1cnn2ccccc12.
What is the InChIKey of 5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The InChIKey is KBPKCGMLMUJGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-11-4-5-14(19(20)21)12(7-11)16-8-10-9-17-18-6-2-1-3-13(10)18/h1-7,9,16H,8H2.
What are the key properties of 5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline has a molecular weight of 302.72 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 63311794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).