2-chloro-6-(propylamino)pyridine-4-carbonyl azide

C9H10ClN5O — CID 90872001

IUPAC2-chloro-6-(propylamino)pyridine-4-carbonyl azide
SMILESCCCNc1cc(C(=O)N=[N+]=[N-])cc(Cl)n1
InChIInChI=1S/C9H10ClN5O/c1-2-3-12-8-5-6(4-7(10)13-8)9(16)14-15-11/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyUQSSLMAKYMVLAV-UHFFFAOYSA-N
MW239.67 g/mol
LogP3.01
Rot. Bonds4

About 2-chloro-6-(propylamino)pyridine-4-carbonyl azide

2-chloro-6-(propylamino)pyridine-4-carbonyl azide (PubChem CID 90872001) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is 2-chloro-6-(propylamino)pyridine-4-carbonyl azide.

Molecular Properties

Compound Name2-chloro-6-(propylamino)pyridine-4-carbonyl azide
PubChem CID90872001
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC Name2-chloro-6-(propylamino)pyridine-4-carbonyl azide
SMILESCCCNc1cc(C(=O)N=[N+]=[N-])cc(Cl)n1
InChIInChI=1S/C9H10ClN5O/c1-2-3-12-8-5-6(4-7(10)13-8)9(16)14-15-11/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyUQSSLMAKYMVLAV-UHFFFAOYSA-N
XLogP3.01
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
CID 62171490
2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 65042532
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide
CID 62168778
2-chloro-N,N-bis(cyanomethyl)-6-(propylamino)pyridine-4-carboxamide
CID 62184912
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 104765513
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 62165467
2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide
CID 62172549
2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 62167493
2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide
CID 107643171
2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide
CID 103094848
2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 63245018

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(propylamino)pyridine-4-carbonyl azide?
The IUPAC name of 2-chloro-6-(propylamino)pyridine-4-carbonyl azide (CID 90872001) is 2-chloro-6-(propylamino)pyridine-4-carbonyl azide.
What is the SMILES notation for 2-chloro-6-(propylamino)pyridine-4-carbonyl azide?
The canonical SMILES for 2-chloro-6-(propylamino)pyridine-4-carbonyl azide is CCCNc1cc(C(=O)N=[N+]=[N-])cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(propylamino)pyridine-4-carbonyl azide?
The InChIKey is UQSSLMAKYMVLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c1-2-3-12-8-5-6(4-7(10)13-8)9(16)14-15-11/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-chloro-6-(propylamino)pyridine-4-carbonyl azide?
2-chloro-6-(propylamino)pyridine-4-carbonyl azide has a molecular weight of 239.67 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(propylamino)pyridine-4-carbonyl azide is sourced from PubChem (CID 90872001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).