4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline

C14H11ClN4O2 — CID 60631945

IUPAC4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline
SMILESO=[N+]([O-])c1cc(Cl)ccc1NCc1cn2ccccc2n1
InChIInChI=1S/C14H11ClN4O2/c15-10-4-5-12(13(7-10)19(20)21)16-8-11-9-18-6-2-1-3-14(18)17-11/h1-7,9,16H,8H2
InChIKeyWMFSYSCLBFUZKZ-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.51
Rot. Bonds4

About 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline

4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline (PubChem CID 60631945) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline.

Molecular Properties

Compound Name4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline
PubChem CID60631945
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline
SMILESO=[N+]([O-])c1cc(Cl)ccc1NCc1cn2ccccc2n1
InChIInChI=1S/C14H11ClN4O2/c15-10-4-5-12(13(7-10)19(20)21)16-8-11-9-18-6-2-1-3-14(18)17-11/h1-7,9,16H,8H2
InChIKeyWMFSYSCLBFUZKZ-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

2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline
CID 36783664
4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide
CID 17407046
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile
CID 134017959
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline
CID 60671510
4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide
CID 31257184
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
4-chloro-2-nitro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311796
2-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methylaniline
CID 103768036
2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline
CID 104726088
4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline
CID 43218103
5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile
CID 133285740
5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 102847163

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline?
The IUPAC name of 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline (CID 60631945) is 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline.
What is the SMILES notation for 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline?
The canonical SMILES for 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline is O=[N+]([O-])c1cc(Cl)ccc1NCc1cn2ccccc2n1.
What is the InChIKey of 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline?
The InChIKey is WMFSYSCLBFUZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-10-4-5-12(13(7-10)19(20)21)16-8-11-9-18-6-2-1-3-14(18)17-11/h1-7,9,16H,8H2.
What are the key properties of 4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline?
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline 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-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline is sourced from PubChem (CID 60631945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).