1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine

C11H11ClN4 — CID 146346220

IUPAC1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine
SMILES[H]/N=c1/c(N)cccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN4/c12-10-4-3-8(6-15-10)7-16-5-1-2-9(13)11(16)14/h1-6,14H,7,13H2/b14-11-
InChIKeyNVPWBUDKBZCWLZ-KAMYIIQDSA-N
MW234.69 g/mol
LogP1.65
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine

1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine (PubChem CID 146346220) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine
PubChem CID146346220
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine
SMILES[H]/N=c1/c(N)cccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN4/c12-10-4-3-8(6-15-10)7-16-5-1-2-9(13)11(16)14/h1-6,14H,7,13H2/b14-11-
InChIKeyNVPWBUDKBZCWLZ-KAMYIIQDSA-N
XLogP1.65
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,6-bis[(6-chloro-3-pyridinyl)methyl]triazolo[4,5-d]pyrimidin-7-imine
CID 25068173
N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]hydroxylamine
CID 123732685
[1-[(6-chloro-3-pyridinyl)methyl]pyrimidin-2-ylidene]cyanamide
CID 14279659
3-[(6-chloro-3-pyridinyl)methyl]-7-iminotriazolo[4,5-d]pyrimidin-6-amine
CID 25014649
1-[(6-chloro-3-pyridinyl)methyl]-2-iminoimidazolidin-4-one
CID 139597920
3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-one
CID 63312214
3-[(6-chloro-3-pyridinyl)methyl]-6-propan-2-yltriazolo[4,5-d]pyrimidin-7-imine
CID 102478187
2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine
CID 178122205
1-[(6-chloro-3-pyridinyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 10176894
[(E)-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino] acetate
CID 144865775
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2,2-trifluoro-N'-hydroxyethanimidamide
CID 131735176

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine (CID 146346220) is 1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine is [H]/N=c1/c(N)cccn1Cc1ccc(Cl)nc1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine?
The InChIKey is NVPWBUDKBZCWLZ-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-10-4-3-8(6-15-10)7-16-5-1-2-9(13)11(16)14/h1-6,14H,7,13H2/b14-11-.
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine?
1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine has a molecular weight of 234.69 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine is sourced from PubChem (CID 146346220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).