6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine

C11H15ClN4O2 — CID 106028372

IUPAC6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine
SMILESCN1CCCC1CNc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H15ClN4O2/c1-15-4-2-3-8(15)7-13-11-6-9(16(17)18)5-10(12)14-11/h5-6,8H,2-4,7H2,1H3,(H,13,14)
InChIKeyNQGLPALKDNSJTB-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.15
Rot. Bonds4

About 6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine

6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine (PubChem CID 106028372) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine
PubChem CID106028372
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine
SMILESCN1CCCC1CNc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H15ClN4O2/c1-15-4-2-3-8(15)7-13-11-6-9(16(17)18)5-10(12)14-11/h5-6,8H,2-4,7H2,1H3,(H,13,14)
InChIKeyNQGLPALKDNSJTB-UHFFFAOYSA-N
XLogP2.15
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106022889
2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid
CID 114137693
2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 103886515
6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 113346443
6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine
CID 103889009
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitroaniline
CID 106026701
6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 63586179
2-[(1-methylpyrrolidin-2-yl)methylamino]-5-nitrobenzonitrile
CID 47078600
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 131214051
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
CID 113345971
6-chloro-4-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103888685

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine (CID 106028372) is 6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine is CN1CCCC1CNc1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine?
The InChIKey is NQGLPALKDNSJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-15-4-2-3-8(15)7-13-11-6-9(16(17)18)5-10(12)14-11/h5-6,8H,2-4,7H2,1H3,(H,13,14).
What are the key properties of 6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine?
6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine has a molecular weight of 270.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 106028372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).