[[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine

C10H14ClN5O2 — CID 139880932

IUPAC[[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine
SMILESCN(Cc1ccc(Cl)nc1)N(/C=C/[N+](=O)[O-])CN
InChIInChI=1S/C10H14ClN5O2/c1-14(15(8-12)4-5-16(17)18)7-9-2-3-10(11)13-6-9/h2-6H,7-8,12H2,1H3/b5-4+
InChIKeyNAPHWFSPKSHRCP-SNAWJCMRSA-N
MW271.71 g/mol
LogP1.05
Rot. Bonds6

About [[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine

[[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine (PubChem CID 139880932) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is [[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine.

Molecular Properties

Compound Name[[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine
PubChem CID139880932
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Name[[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine
SMILESCN(Cc1ccc(Cl)nc1)N(/C=C/[N+](=O)[O-])CN
InChIInChI=1S/C10H14ClN5O2/c1-14(15(8-12)4-5-16(17)18)7-9-2-3-10(11)13-6-9/h2-6H,7-8,12H2,1H3/b5-4+
InChIKeyNAPHWFSPKSHRCP-SNAWJCMRSA-N
XLogP1.05
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine with MolForge

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Related Compounds

2-[(6-chloro-3-pyridinyl)methyl]-1-methyl-1-(2-nitroethenyl)hydrazine
CID 173270055
(E)-3-(6-chloro-3-pyridinyl)-1-nitroprop-1-en-2-amine;ethane
CID 142918977
(Z)-1-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-2-nitroethenamine
CID 139215049
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
3-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-nitroprop-1-ene-2-sulfonic acid
CID 174295631
N'-[1-[(6-chloro-3-pyridinyl)methyl-methylamino]-2-nitroethenyl]-N,N-dimethylmethanimidamide
CID 54359798
N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-1-nitrobut-1-en-2-amine
CID 58031189
(Z)-1-N-[(6-chloro-3-pyridinyl)methyl]-1-N',1-N'-dimethyl-2-nitroethene-1,1-diamine
CID 18649378
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
N'-[(6-chloro-3-pyridinyl)methyl]-N-[(E)-1-ethylsulfanyl-2-nitroethenyl]-N'-methylethane-1,2-diamine
CID 21274568
1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;ethanol
CID 175020975
(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-2-nitroethene-1,1-diamine
CID 19913012

Frequently Asked Questions

What is the IUPAC name of [[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine?
The IUPAC name of [[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine (CID 139880932) is [[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine.
What is the SMILES notation for [[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine?
The canonical SMILES for [[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine is CN(Cc1ccc(Cl)nc1)N(/C=C/[N+](=O)[O-])CN.
What is the InChIKey of [[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine?
The InChIKey is NAPHWFSPKSHRCP-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H14ClN5O2/c1-14(15(8-12)4-5-16(17)18)7-9-2-3-10(11)13-6-9/h2-6H,7-8,12H2,1H3/b5-4+.
What are the key properties of [[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine?
[[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine has a molecular weight of 271.71 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[(6-chloro-3-pyridinyl)methyl-methylamino]-[(E)-2-nitroethenyl]amino]methanamine is sourced from PubChem (CID 139880932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).