2-(7-chloro-1H-indol-5-yl)ethanimidamide

C10H10ClN3 — CID 83883547

IUPAC2-(7-chloro-1H-indol-5-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C10H10ClN3/c11-8-4-6(5-9(12)13)3-7-1-2-14-10(7)8/h1-4,14H,5H2,(H3,12,13)
InChIKeyKWAUXQPEYXORRK-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.30
Rot. Bonds2

About 2-(7-chloro-1H-indol-5-yl)ethanimidamide

2-(7-chloro-1H-indol-5-yl)ethanimidamide (PubChem CID 83883547) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-(7-chloro-1H-indol-5-yl)ethanimidamide.

Molecular Properties

Compound Name2-(7-chloro-1H-indol-5-yl)ethanimidamide
PubChem CID83883547
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-(7-chloro-1H-indol-5-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C10H10ClN3/c11-8-4-6(5-9(12)13)3-7-1-2-14-10(7)8/h1-4,14H,5H2,(H3,12,13)
InChIKeyKWAUXQPEYXORRK-UHFFFAOYSA-N
XLogP2.30
TPSA65.66 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(7-chloro-1H-indol-5-yl)acetaldehyde
CID 83878658
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-(2,6-dichlorophenyl)ethanimidamide chloride
CID 45108783
2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide
CID 103038181
2-phenylethanimidamide
CID 27787
3-(1H-indol-6-yl)propanimidamide
CID 173254114
acetic acid;5,7-dichloro-1H-indole
CID 162328874
2-pyridin-4-ylethanimidamide
CID 5078674
[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium
CID 140688166
2-(1-chloroimidazo[1,5-a]pyridin-7-yl)ethanimidamide
CID 83884204
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748
2-(6-chloro-3H-benzimidazol-5-yl)ethanimidamide
CID 83884207

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1H-indol-5-yl)ethanimidamide?
The IUPAC name of 2-(7-chloro-1H-indol-5-yl)ethanimidamide (CID 83883547) is 2-(7-chloro-1H-indol-5-yl)ethanimidamide.
What is the SMILES notation for 2-(7-chloro-1H-indol-5-yl)ethanimidamide?
The canonical SMILES for 2-(7-chloro-1H-indol-5-yl)ethanimidamide is [H]/N=C(\N)Cc1cc(Cl)c2[nH]ccc2c1.
What is the InChIKey of 2-(7-chloro-1H-indol-5-yl)ethanimidamide?
The InChIKey is KWAUXQPEYXORRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-8-4-6(5-9(12)13)3-7-1-2-14-10(7)8/h1-4,14H,5H2,(H3,12,13).
What are the key properties of 2-(7-chloro-1H-indol-5-yl)ethanimidamide?
2-(7-chloro-1H-indol-5-yl)ethanimidamide has a molecular weight of 207.66 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1H-indol-5-yl)ethanimidamide is sourced from PubChem (CID 83883547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).