N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine

C11H10ClN5O2 — CID 86807809

IUPACN-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine
SMILESNc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C11H10ClN5O2/c12-8-3-9(17(18)19)11(16-6-8)15-5-7-1-2-10(13)14-4-7/h1-4,6H,5H2,(H2,13,14)(H,15,16)
InChIKeyPRDNHWFKHZQJOI-UHFFFAOYSA-N
MW279.69 g/mol
LogP2.23
Rot. Bonds4

About N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine

N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine (PubChem CID 86807809) has the molecular formula C11H10ClN5O2 and a molecular weight of 279.69 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine
PubChem CID86807809
Molecular FormulaC11H10ClN5O2
Molecular Weight279.69 g/mol
Exact Mass279.05
IUPAC NameN-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine
SMILESNc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C11H10ClN5O2/c12-8-3-9(17(18)19)11(16-6-8)15-5-7-1-2-10(13)14-4-7/h1-4,6H,5H2,(H2,13,14)(H,15,16)
InChIKeyPRDNHWFKHZQJOI-UHFFFAOYSA-N
XLogP2.23
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(4-aminophenyl)methyl]-5-chloro-3-nitropyridin-2-amine
CID 116650490
2-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115747014
5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
CID 114111474
6-[(4-chlorophenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442231
4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide
CID 106238716
5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 103292790
N-[(4-ethylphenyl)methyl]-5-methyl-3-nitropyridin-2-amine
CID 103704940
N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 115301549
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996
2-[4-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457934
5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104576952

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine?
The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine (CID 86807809) is N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine?
The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine is Nc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cn1.
What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine?
The InChIKey is PRDNHWFKHZQJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2/c12-8-3-9(17(18)19)11(16-6-8)15-5-7-1-2-10(13)14-4-7/h1-4,6H,5H2,(H2,13,14)(H,15,16).
What are the key properties of N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine?
N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine has a molecular weight of 279.69 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine is sourced from PubChem (CID 86807809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).