2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine

C11H14ClN3O2 — CID 18001633

IUPAC2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine
SMILESCCC(Nc1ccnc(Cl)c1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H14ClN3O2/c1-2-8(7-3-4-7)14-9-5-6-13-11(12)10(9)15(16)17/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyGRMVIKVKVDOMKZ-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.24
Rot. Bonds5

About 2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine

2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine (PubChem CID 18001633) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine
PubChem CID18001633
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine
SMILESCCC(Nc1ccnc(Cl)c1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H14ClN3O2/c1-2-8(7-3-4-7)14-9-5-6-13-11(12)10(9)15(16)17/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyGRMVIKVKVDOMKZ-UHFFFAOYSA-N
XLogP3.24
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(1S)-1-cyclopropylpropyl]-4-(2,4-dichlorophenyl)-3-nitropyridin-2-amine
CID 62705475
2-chloro-N-[(2R)-1-(3-chlorothiophen-2-yl)butan-2-yl]-3-nitropyridin-4-amine
CID 10882512
4-(2-chloro-4-methoxyphenyl)-N-(1-cyclobutylpropyl)-3-nitropyridin-2-amine
CID 22052220
4-chloro-N-(1-cyclopropylpropyl)-3-nitroaniline
CID 64917775
2-chloro-N-(2-methoxyethyl)-3-nitropyridin-4-amine
CID 87404808
ethyl 2-[(2-chloro-3-nitro-4-pyridinyl)amino]acetate
CID 142740113
1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 65193961
6-chloro-N-(1-cyclopropylbutan-2-yl)-5-nitropyrimidin-4-amine
CID 63995169
2-chloro-N-[(4-methyl-2-pyridinyl)methyl]-3-nitropyridin-4-amine
CID 178028899
3-nitro-N-[(1R)-1-(oxan-4-yl)propyl]pyridin-2-amine
CID 95785017
N-(1-cyclohexylpropyl)-5-nitropyrimidin-2-amine
CID 55069697
2-[(2-chloro-3-nitro-4-pyridinyl)amino]ethylcarbamic acid
CID 87285994

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine?
The IUPAC name of 2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine (CID 18001633) is 2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine?
The canonical SMILES for 2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine is CCC(Nc1ccnc(Cl)c1[N+](=O)[O-])C1CC1.
What is the InChIKey of 2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine?
The InChIKey is GRMVIKVKVDOMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-2-8(7-3-4-7)14-9-5-6-13-11(12)10(9)15(16)17/h5-8H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine?
2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine has a molecular weight of 255.70 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylpropyl)-3-nitropyridin-4-amine is sourced from PubChem (CID 18001633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).