6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine

C12H17ClN4O2 — CID 103888459

IUPAC6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(CN1CCCC1)Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C12H17ClN4O2/c1-9(8-16-4-2-3-5-16)14-12-7-10(17(18)19)6-11(13)15-12/h6-7,9H,2-5,8H2,1H3,(H,14,15)
InChIKeyBNNIHBNBCHCCRO-UHFFFAOYSA-N
MW284.75 g/mol
LogP2.54
Rot. Bonds5

About 6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine

6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine (PubChem CID 103888459) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
PubChem CID103888459
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(CN1CCCC1)Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C12H17ClN4O2/c1-9(8-16-4-2-3-5-16)14-12-7-10(17(18)19)6-11(13)15-12/h6-7,9H,2-5,8H2,1H3,(H,14,15)
InChIKeyBNNIHBNBCHCCRO-UHFFFAOYSA-N
XLogP2.54
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 52.54
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-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 113345983
4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103888945
6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine
CID 133273649
3-bromo-5-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 79534792
6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 103888375
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine
CID 103888310
2-iodo-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline
CID 66092862
3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
CID 61477469
6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine
CID 104918892
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
CID 62994385
N-[(2-chloro-5-nitrophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471859
6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80897697

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine (CID 103888459) is 6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine is CC(CN1CCCC1)Nc1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is BNNIHBNBCHCCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-9(8-16-4-2-3-5-16)14-12-7-10(17(18)19)6-11(13)15-12/h6-7,9H,2-5,8H2,1H3,(H,14,15).
What are the key properties of 6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine?
6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 284.75 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 103888459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).