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

C14H11ClN4O2 — CID 63311796

IUPAC4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESO=[N+]([O-])c1cc(Cl)ccc1NCc1cnn2ccccc12
InChIInChI=1S/C14H11ClN4O2/c15-11-4-5-12(14(7-11)19(20)21)16-8-10-9-17-18-6-2-1-3-13(10)18/h1-7,9,16H,8H2
InChIKeyBVOJLDCXGAAYRB-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.51
Rot. Bonds4

About 4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline

4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (PubChem CID 63311796) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
PubChem CID63311796
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
SMILESO=[N+]([O-])c1cc(Cl)ccc1NCc1cnn2ccccc12
InChIInChI=1S/C14H11ClN4O2/c15-11-4-5-12(14(7-11)19(20)21)16-8-10-9-17-18-6-2-1-3-13(10)18/h1-7,9,16H,8H2
InChIKeyBVOJLDCXGAAYRB-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

5-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311794
2-methyl-3-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311845
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline
CID 60631945
4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-nitroaniline
CID 43218114
2-ethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63312135
4-chloro-2-nitro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]aniline
CID 60526871
4-chloro-N-[(2,3-difluorophenyl)methyl]-2-nitroaniline
CID 63667211
4-fluoro-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)benzoic acid
CID 63312195
2-chloro-6-[(4-chloro-2-nitroanilino)methyl]phenol
CID 115951186
4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline
CID 43218103
2-[(4-chloro-2-nitroanilino)methyl]-N,N-dimethylbenzenesulfonamide
CID 134051150
2,6-dichloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 83077478

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline (CID 63311796) is 4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is O=[N+]([O-])c1cc(Cl)ccc1NCc1cnn2ccccc12.
What is the InChIKey of 4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
The InChIKey is BVOJLDCXGAAYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-11-4-5-12(14(7-11)19(20)21)16-8-10-9-17-18-6-2-1-3-13(10)18/h1-7,9,16H,8H2.
What are the key properties of 4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline?
4-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 4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 63311796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).