3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine

C10H12ClN3O2 — CID 103847594

IUPAC3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine
SMILESCC1(Nc2ncc([N+](=O)[O-])cc2Cl)CCC1
InChIInChI=1S/C10H12ClN3O2/c1-10(3-2-4-10)13-9-8(11)5-7(6-12-9)14(15)16/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyBQRDGQBGVHQYPE-UHFFFAOYSA-N
MW241.68 g/mol
LogP3.00
Rot. Bonds3

About 3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine

3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine (PubChem CID 103847594) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine
PubChem CID103847594
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine
SMILESCC1(Nc2ncc([N+](=O)[O-])cc2Cl)CCC1
InChIInChI=1S/C10H12ClN3O2/c1-10(3-2-4-10)13-9-8(11)5-7(6-12-9)14(15)16/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyBQRDGQBGVHQYPE-UHFFFAOYSA-N
XLogP3.00
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[(3-chloro-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 114046425
[1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 103721042
3-chloro-N-(1,1-dioxothian-3-yl)-5-nitropyridin-2-amine
CID 75374172
3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
CID 133377795
3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine
CID 113238793
3-chloro-5-nitro-N-(1-oxaspiro[5.5]undecan-4-yl)pyridin-2-amine
CID 133378045
3-chloro-N-(3-methylsulfanylpropyl)-5-nitropyridin-2-amine
CID 103679906
3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 103679882
(2S)-2-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 120964337
3-chloro-5-nitropyridine-2-carbaldehyde
CID 19010906
3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione
CID 103824174
methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate
CID 133385700

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine?
The IUPAC name of 3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine (CID 103847594) is 3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine?
The canonical SMILES for 3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine is CC1(Nc2ncc([N+](=O)[O-])cc2Cl)CCC1.
What is the InChIKey of 3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine?
The InChIKey is BQRDGQBGVHQYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-10(3-2-4-10)13-9-8(11)5-7(6-12-9)14(15)16/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine?
3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine has a molecular weight of 241.68 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 103847594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).