2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile

C7H5ClN4O2 — CID 170737437

IUPAC2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile
SMILESN#CCNc1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C7H5ClN4O2/c8-7-3-5(10-2-1-9)6(4-11-7)12(13)14/h3-4H,2H2,(H,10,11)
InChIKeyOROAQTLNTYCEBS-UHFFFAOYSA-N
MW212.60 g/mol
LogP1.58
Rot. Bonds3

About 2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile

2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile (PubChem CID 170737437) has the molecular formula C7H5ClN4O2 and a molecular weight of 212.60 g/mol. Its IUPAC name is 2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile
PubChem CID170737437
Molecular FormulaC7H5ClN4O2
Molecular Weight212.60 g/mol
Exact Mass212.01
IUPAC Name2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile
SMILESN#CCNc1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C7H5ClN4O2/c8-7-3-5(10-2-1-9)6(4-11-7)12(13)14/h3-4H,2H2,(H,10,11)
InChIKeyOROAQTLNTYCEBS-UHFFFAOYSA-N
XLogP1.58
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-5-nitro-4-pyridinyl)amino]-N,N-dimethylacetamide
CID 141369480
2-chloro-5-nitro-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridin-4-amine
CID 90176718
methyl 2-[(2-chloro-5-nitro-4-pyridinyl)oxy]acetate
CID 118278448
2-chloro-N-(cyanomethyl)-5-nitro-N-propan-2-ylpyridine-4-carboxamide
CID 103758649
2-chloro-N,N-bis(2-cyanoethyl)-5-nitropyridine-4-carboxamide
CID 103733187
2-chloro-N-(2,2-dimethylpropyl)-5-nitropyridine-4-carboxamide
CID 113250953
2-(2-chloro-5-nitro-4-pyridinyl)ethanol
CID 87350535
4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine
CID 130469784
2-chloro-5-iodo-4-nitropyridine
CID 131211540
2-[2-(difluoromethyl)-5-nitro-4-pyridinyl]acetonitrile
CID 118803712
2-chloro-N-[[4-[1-methyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]phenyl]methyl]-5-nitropyridin-4-amine
CID 170707636
2-chloro-N-(1-cyanoethyl)-N-methyl-5-nitropyridine-4-carboxamide
CID 114089805

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile?
The IUPAC name of 2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile (CID 170737437) is 2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile.
What is the SMILES notation for 2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile?
The canonical SMILES for 2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile is N#CCNc1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile?
The InChIKey is OROAQTLNTYCEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O2/c8-7-3-5(10-2-1-9)6(4-11-7)12(13)14/h3-4H,2H2,(H,10,11).
What are the key properties of 2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile?
2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile has a molecular weight of 212.60 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-nitro-4-pyridinyl)amino]acetonitrile is sourced from PubChem (CID 170737437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).